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Name
4-Amino-1-(2’,3’,5’-tri-O-tert-butyldimethylsilyl--D-ribofuranosyl)-imidazo[4,5-a]pyridine
- EINECS
- CAS No. 147212-86-0
- Article Data3
- CAS DataBase
- Density 1.056 g/cm3
- Solubility
- Melting Point 121-125°C
- Formula C29H56N4O4Si3
- Boiling Point 595.676 °C at 760 mmHg
- Molecular Weight 609.04
- Flash Point 314.054 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1-[(2R,3S,4S,5R)-3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]imidazo[4,5-c]pyridin-4-amine;
- PSA 93.65000
- LogP 8.29470
4-Amino-1-(2’,3’,5’-tri-O-tert-butyldimethylsilyl--D-ribofuranosyl)-imidazo[4,5-a]pyridine Specification
The 4-Amino-1-(2’, 3’, 5’-tri-O-tert-butyldimethylsilyl--D-ribofuranosyl)-imidazo[4, 5-a]pyridine, has CAS registry number 147212-86-0. This chemical's molecular formula is C29H56N4O4Si3 and molecular weight is 609.04. What's more, its systematic name is 1-[(2R, 3S, 4S, 5R)-3, 4-Bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]imidazo[4, 5-c]pyridin-4-amine.
Physical properties about 4-Amino-1-(2’, 3’, 5’-tri-O-tert-butyldimethylsilyl--D-ribofuranosyl)-imidazo[4, 5-a]pyridine are: (1)ACD/LogP: 8.59; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.448; (4)ACD/LogD (pH 7.4): 7.984; (5)ACD/BCF (pH 5.5): 14359.342; (6)ACD/BCF (pH 7.4): 493633; (7)ACD/KOC (pH 5.5): 8123.689; (8)ACD/KOC (pH 7.4): 279269.156; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 93.65 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 172.332 cm3; (15)Molar Volume: 576.69 cm3; (16)Polarizability: 68.318×10-24 cm3; (17)Surface Tension: 27.527 dyne/cm; (18)Density: 1.056 g/cm3; (19)Flash Point: 314.054 °C; (20)Enthalpy of Vaporization: 88.763 kJ/mol; (21)Boiling Point: 595.676 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)n2cnc3c2ccnc3N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
(2) InChI: InChI=1/C29H56N4O4Si3/c1-27(2,3)38(10,11)34-18-21-23(36-39(12,13)28(4,5)6)24(37-40(14,15)29(7,8)9)26(35-21)33-19-32-22-20(33)16-17-31-25(22)30/h16-17,19,21,23-24,26H,18H2,1-15H3,(H2,30,31)/t21-,23+,24+,26-/m1/s1
(3) InChIKey: SOGOMPJANKBXFD-BPEMXEAKBC
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