C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)

bidhaa

C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)

Taarifa za Msingi:


Maelezo ya Bidhaa

Lebo za Bidhaa

Tabia za kimwili

Sifa Muhimu za Kimwili Thamani Hali
Uzito wa Masi 548.56 -
Kiwango Myeyuko (Majaribio) 118-120 °C -
Msongamano (Uliotabiriwa) 1.38±0.1 g/cm3 Joto: 20 ° C;Bonyeza: 760 Torr
pKa (Iliyotabiriwa) 9.39±0.10 Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kisheria O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-) 2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
Ufunguo wa InChi
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Jina Lingine la Dawa hii
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)

Sifa za Majaribio

Mali zinazopatikana
Joto

Joto

Mali Thamani Hali Chanzo
Kiwango cha kuyeyuka 118-120 °C (1) CAS

(1) Penjarla, Srishylam;Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus

Spectra ya Majaribio

Spectra inapatikana
1H NMR
13C NMR

Mali Zilizotabiriwa

Mali zinazopatikana
Kibiolojia
Kemikali
Msongamano
Lipinski
Kuhusiana na Muundo

Kibiolojia

Mali Thamani Hali Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia 3580 pH 1;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 3580 pH 2;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 3580 pH 3;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 3580 pH 4;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 3580 pH 5;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 3580 pH 6;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 3570 pH 7;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 3430 pH 8;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 2500 pH 9;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 689 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 12200 pH 1;Joto: 25 °C (1) ACD
Koc 12200 pH 2;Joto: 25 °C (1) ACD
Koc 12200 pH 3;Joto: 25 °C (1) ACD
Koc 12200 pH 4;Joto: 25 °C (1) ACD
Koc 12200 pH 5;Joto: 25 °C (1) ACD
Koc 12200 pH 6;Joto: 25 °C (1) ACD
Koc 12100 pH 7;Joto: 25 °C (1) ACD
Koc 11700 pH 8;Joto: 25 °C (1) ACD
Koc 8480 pH 9;Joto: 25 °C (1) ACD
Koc 2340 pH 10;Joto: 25 °C (1) ACD
logD 4.98 pH 1;Joto: 25 °C (1) ACD
logD 4.98 pH 2;Joto: 25 °C (1) ACD
logD 4.98 pH 3;Joto: 25 °C (1) ACD
logD 4.98 pH 4;Joto: 25 °C (1) ACD
logD 4.98 pH 5;Joto: 25 °C (1) ACD
logD 4.98 pH 6;Joto: 25 °C (1) ACD
logD 4.98 pH 7;Joto: 25 °C (1) ACD
logD 4.96 pH 8;Joto: 25 °C (1) ACD
logD 4.82 pH 9;Joto: 25 °C (1) ACD
logD 4.26 pH 10;Joto: 25 °C (1) ACD
logP 4.979±0.563 Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Misa 9.9 x 10-5 g/L Joto: 25 °C (1) ACD
Umumunyifu wa Misa 9.9 x 10-5 g/L pH 1;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 9.9 x 10-5 g/L pH 2;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 9.9 x 10-5 g/L pH 3;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 9.9 x 10-5 g/L pH 4;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 9.9 x 10-5 g/L pH 5;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 9.9 x 10-5 g/L pH 6;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 9.9 x 10-5 g/L pH 7;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 9.9 x 10-5 g/L pH 8;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.4 x 10-4 g/L pH 9;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 5.0 x 10-4 g/L pH 10;Joto: 25 °C (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa Misa 9.9 x 10-5 g/L Maji yasiyo na buffered pH 7.00;Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Molar 1.8 x 10-7 mol/L Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L pH 1;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L pH 2;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L pH 3;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L pH 4;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L pH 5;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L pH 6;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L pH 7;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L pH 8;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.5 x 10-7 mol/L pH 9;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 9.2 x 10-7 mol/L pH 10;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 1.8 x 10-7 mol/L Maji yasiyo na buffered pH 7.00;Joto: 25 °C (1) ACD
Uzito wa Masi 548.56    
pKa 9.39±0.10 Halijoto ya Asidi Zaidi: 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 1.38±0.1 g/cm3 Joto: 20 ° C;Bonyeza: 760 Torr (1) ACD
Kiasi cha Molar 395.8±5.0 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 10   (1) ACD
H Wakubali 9   (1) ACD
H Wafadhili 2   (1) ACD
H Jumla ya Mfadhili/Mpokeaji 11   (1) ACD
logP 4.979±0.563 Joto: 25 °C (1) ACD
Uzito wa Masi 548.56    

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

Kuhusiana na Muundo

Mali Thamani

Hali

Chanzo
Eneo la Uso wa Polar 107 A2 (1) ACD

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

Spectra iliyotabiriwa

Spectra inapatikana
1H NMR
13C NMR


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