C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

bidhaa

C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

Taarifa za Msingi:


Maelezo ya Bidhaa

Lebo za Bidhaa

Maelezo ya Dawa

Nambari ya Usajili ya CAS

3736-77-4

Sifa Muhimu za Kimwili Thamani Hali
Uzito wa Masi 226.19 -
Kiwango Myeyuko (Majaribio) 234-235 °C -
Kiwango cha Kuchemka (Iliyotabiriwa) 456.3±55.0 °C Bonyeza: 760 Torr
Msongamano (Uliotabiriwa) 2.01±0.1 g/cm3 Joto: 20 ° C;Bonyeza: 760 Torr
pKa (Iliyotabiriwa) 12.55±0.40 Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kikanuni
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Isomeric TABASAMU
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Ufunguo wa InChi
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Majina Mengine ya Dawa hii
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2] -a]pyrimidin-6-one (ACI);6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]

pyrimidin-6-moja, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI);2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil;2,2′ -Anhydro-1- β -D-arabino-furanosyluracil;2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil;2,2′ -Anhydrouridine;2,2′ -O-Cyclouridine;BMT 157148;O2,2′ -Anhydrouridine;O2,2′ -Cyclouridine;β -D-2′,2-O-Cycloarabinouridine

Sifa za Majaribio

Mali zinazopatikana
Macho na Kutawanya
Joto

Macho na Upishi

Mali Thamani Hali Chanzo
Nguvu ya Kuzunguka ya Macho -19 digrii Kutengenezea: Methanoli;λ: 589.3 nm;Joto: 26 °C (1) CAS

(1) Codington, John F.;Jarida la Jumuiya ya Kemikali ya Amerika, (1961), 83, 5030-1, CAplus

Joto

Mali Thamani Hali Chanzo
Kiwango cha kuyeyuka 250-253 °C   (1) CAS
Kiwango cha kuyeyuka 246 °C Kutengenezea: Ethanoli;Isopropanoli (2) CAS
Kiwango cha kuyeyuka 242-245 °C   (3) CAS
Kiwango cha kuyeyuka 242-243 °C   (4) CAS
Kiwango cha kuyeyuka 236-238 °C (kuharibika)   (5) CAS
Kiwango cha kuyeyuka 234 °C   (6) CAS
Kiwango cha kuyeyuka 234-235 °C   (7) CAS
Kiwango cha kuyeyuka 233-234 °C (kuharibika) Kutengenezea: Methanoli (8) CAS
Kiwango cha kuyeyuka Tazama Maandishi Kamili   (9) CAS

(1) Lin, Kun-I.;Jarida la Jumuiya ya Kemikali ya Kichina (Taipei, Taiwan), (2007), 54(2), 563-568, CAPlus

(2) Takatsuki, Ken-ichi;Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus

(3) Wnuk, Stanislaw F.;Jarida la Kemia Hai, (2002), 67(6), 1816-1819, CAplus

(4) Szlenkier, Maurycy;Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus

(5) Marumoto, Ryuji;Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus

(6) Krizmanic, Irena;Tetrahedron, (2003), 59(23), 4047-4057, CAPlus

(7) Brown, DM;Jarida la Jumuiya ya Kemikali, (1958), 3035-8, CAplus

(8) Li, Heting;Synthetic Communications, (2006), 36(14), 1933-1940, CAPlus

(9) Codington, John F.;Jarida la Jumuiya ya Kemikali ya Amerika, (1961), 83, 5030-1, CAplus

Spectra ya Majaribio

Spectra inapatikana
1 H NMR
13 C NMR
IR
Spectra inapatikana
Misa

Mali Zilizotabiriwa

Mali zinazopatikana
Kibiolojia
Kemikali
Msongamano
Lipinski
Kuhusiana na Muundo
Joto

Kibiolojia

Mali Thamani Hali Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 1;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 2;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 3;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 4;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 5;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 6;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 7;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 8;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 9;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 1.0 pH 10;Joto: 25 °C (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Kemikali

Mali Thamani Hali Chanzo
Koc 7.66 pH 1;Joto: 25 °C (1) ACD
Koc 7.66 pH 2;Joto: 25 °C (1) ACD
Koc 7.66 pH 3;Joto: 25 °C (1) ACD
Koc 7.66 pH 4;Joto: 25 °C (1) ACD
Koc 7.66 pH 5;Joto: 25 °C (1) ACD
Koc 7.66 pH 6;Joto: 25 °C (1) ACD
Koc 7.66 pH 7;Joto: 25 °C (1) ACD
Koc 7.66 pH 8;Joto: 25 °C (1) ACD

 

Mali Thamani Hali Chanzo
Koc 7.66 pH 9;Joto: 25 °C (1) ACD
Koc 7.64 pH 10;Joto: 25 °C (1) ACD
logD -0.91 pH 1;Joto: 25 °C (1) ACD
logD -0.91 pH 2;Joto: 25 °C (1) ACD
logD -0.91 pH 3;Joto: 25 °C (1) ACD
logD -0.91 pH 4;Joto: 25 °C (1) ACD
logD -0.91 pH 5;Joto: 25 °C (1) ACD
logD -0.91 pH 6;Joto: 25 °C (1) ACD
logD -0.91 pH 7;Joto: 25 °C (1) ACD
logD -0.91 pH 8;Joto: 25 °C (1) ACD
logD -0.91 pH 9;Joto: 25 °C (1) ACD
logD -0.91 pH 10;Joto: 25 °C (1) ACD
logP -0.906±0.555 Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Misa 4.7 g/L Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 1;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 2;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 3;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 4;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 5;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 6;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 7;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 8;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 9;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L pH 10;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 4.7 g/L Maji yasio na buffered pH 6.91;Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Molar 0.021 mol/L Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 1;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 2;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 3;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 4;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 5;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 6;Joto: 25 °C (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa Molar 0.021 mol/L pH 7;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 8;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 9;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L pH 10;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 0.021 mol/L Maji yasio na buffered pH 6.91;Joto: 25 °C (1) ACD
Uzito wa Masi 226.19    
pKa 12.55±0.40 Halijoto ya Asidi Zaidi: 25 °C (1) ACD
pKa -4.68±0.60 Joto la Msingi Zaidi: 25 °C (1) ACD
Shinikizo la Mvuke 3.04 x 10-10 Torr Joto: 25 °C (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Msongamano

Mali Thamani Hali Chanzo
Msongamano 2.01±0.1 g/cm3 Joto: 20 ° C;Bonyeza: 760 Torr (1) ACD
Kiasi cha Molar 112.3±7.0 cm3/mol Joto: 20 ° C;Bonyeza: 760 Torr (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Mali Thamani Hali Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru 3 (1) ACD
H Wakubali 7 (1) ACD
H Wafadhili 2 (1) ACD
H Jumla ya Mfadhili/Mpokeaji 9 (1) ACD
logP -0.906±0.555 Joto: 25 °C (1) ACD
Uzito wa Masi 226.19

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Kuhusiana na Muundo

Mali Thamani Chanzo cha Hali
Eneo la Uso wa Polar 91.6 A2 (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Joto

Mali Thamani Hali Chanzo
Kuchemka 456.3±55.0 °C Bonyeza: 760 Torr (1) ACD

 

Mali Thamani Hali Chanzo
Enthalpy ya vaporization 82.62±6.0 kJ/mol Bonyeza: 760 Torr (1) ACD
Kiwango cha Kiwango 229.8±31.5 °C   (1) ACD

(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)

Spectra iliyotabiriwa

Spectra inapatikana
1 H NMR
13 C NMR

Taarifa za Hatari za GHS

Chanzo cha Taarifa ya Hatari ya Kanuni
H302 Inadhuru ikiwa imemeza Uainishaji na Uwekaji Lebo kwa Wakala wa Kemikali wa Ulaya (ECHA).

Malipo - Uainishaji ulioarifiwa na uwekaji lebo - arifa za kawaida zaidi, Wakala wa Kemikali wa Ulaya (ECHA)

Uainishaji&Uwekaji Lebo - Uainishaji ulioarifiwa na uwekaji lebo - arifa muhimu zaidi


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