C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)

Taarifa za Msingi:

Tutumie barua pepe

Maelezo ya Bidhaa

Lebo za Bidhaa

Tabia za kimwili

Sifa Muhimu za Kimwili	Thamani	Hali
Uzito wa Masi	528.55	-
Kiwango Myeyuko (Majaribio)	129.5-130 °C	-
Kiwango cha Kuchemka (Iliyotabiriwa)	688.2±65.0 °C	Bonyeza: 760 Torr
Msongamano (Uliotabiriwa)	1.35±0.1 g/cm3	Joto: 20 ° C;Bonyeza: 760 Torr
pKa (Iliyotabiriwa)	12.51±0.40	Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kisheria O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36-) 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
Ufunguo wa InChi
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Majina Mengine ya Dawa hii
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo[3,2-a] pyrimidin-6-moja (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -

tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)

Sifa za Majaribio

Mali zinazopatikana

Joto

Joto

Mali	Thamani	Hali	Chanzo
Kiwango cha kuyeyuka	129.5-130 °C	(1) CAS

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

Spectra ya Majaribio

Spectra inapatikana

1H NMR

13C NMR

Misa

Mali Zilizotabiriwa

Mali zinazopatikana

Kibiolojia

Kemikali

Msongamano

Lipinski

Kuhusiana na Muundo

Joto

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 1;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 2;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 3;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 4;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 5;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 6;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 7;Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 8;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1360	pH 9;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1350	pH 10;Joto: 25 °C	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
Koc	6080	pH 1;Joto: 25 °C	(1) ACD
Koc	6080	pH 2;Joto: 25 °C	(1) ACD
Koc	6080	pH 3;Joto: 25 °C	(1) ACD
Koc	6080	pH 4;Joto: 25 °C	(1) ACD
Koc	6080	pH 5;Joto: 25 °C	(1) ACD
Koc	6080	pH 6;Joto: 25 °C	(1) ACD
Koc	6080	pH 7;Joto: 25 °C	(1) ACD
Koc	6080	pH 8;Joto: 25 °C	(1) ACD
Koc	6070	pH 9;Joto: 25 °C	(1) ACD
Koc	6060	pH 10;Joto: 25 °C	(1) ACD
logD	4.42	pH 1;Joto: 25 °C	(1) ACD
logD	4.42	pH 2;Joto: 25 °C	(1) ACD
logD	4.42	pH 3;Joto: 25 °C	(1) ACD
logD	4.42	pH 4;Joto: 25 °C	(1) ACD
logD	4.42	pH 5;Joto: 25 °C	(1) ACD
logD	4.42	pH 6;Joto: 25 °C	(1) ACD
logD	4.42	pH 7;Joto: 25 °C	(1) ACD
logD	4.42	pH 8;Joto: 25 °C	(1) ACD
logD	4.42	pH 9;Joto: 25 °C	(1) ACD
logD	4.42	pH 10;Joto: 25 °C	(1) ACD
logP	4.424±0.618	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	5.8 x 10-4 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 1;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 2;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 3;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 4;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 5;Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 6;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 7;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 8;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 9;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	pH 10;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-4 g/L	Maji yasiyo na buffered pH 7.00;Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	1.1 x 10-6 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 1;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 2;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 3;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 4;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 5;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 6;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 7;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 8;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 9;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	pH 10;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.1 x 10-6 mol/L	Maji yasiyo na buffered pH 7.00;Joto: 25 °C	(1) ACD
Uzito wa Masi	528.55
pKa	12.51±0.40	Halijoto ya Asidi Zaidi: 25 °C	(1) ACD
pKa	-4.70±0.60	Joto la Msingi Zaidi: 25 °C	(1) ACD
Shinikizo la Mvuke	6.91 x 10-20 Torr	Joto: 25 °C	(1) ACD

Msongamano

Mali	Thamani	Hali	Chanzo
Msongamano	1.35±0.1 g/cm3	Joto: 20 ° C;Bonyeza: 760 Torr	(1) ACD
Kiasi cha Molar	389.8±7.0 cm3/mol	Joto: 20 ° C;Bonyeza: 760 Torr	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru	9	(1) ACD

Mali	Thamani	Hali	Chanzo
H Wakubali	9		(1) ACD
H Wafadhili	1		(1) ACD
H Jumla ya Mfadhili/Mpokeaji	10		(1) ACD
logP	4.424±0.618	Joto: 25 °C	(1) ACD
Uzito wa Masi	528.55

Kuhusiana na Muundo

Mali	Thamani	Hali	Chanzo
Eneo la Uso wa Polar	99.1 A2	(1) ACD

Joto

Mali	Thamani	Hali	Chanzo
Kuchemka	688.2±65.0 °C	Bonyeza: 760 Torr	(1) ACD
Enthalpy ya vaporization	105.96±3.0 kJ/mol	Bonyeza: 760 Torr	(1) ACD
Kiwango cha Kiwango	370.0±34.3 °C		(1) ACD