-
Name
2-Amino-9-[(1S,3R,4S)-4-(dimethylphenylsilyl)-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one
- EINECS
- CAS No. 701278-07-1
- Density 1.349 g/cm3
- Solubility
- Melting Point
- Formula C20H25N5O2Si
- Boiling Point
- Molecular Weight 395.53
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;
- PSA 109.82000
- LogP 2.37830
2-Amino-9-[(1S,3R,4S)-4-(dimethylphenylsilyl)-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one Specification
The 2-Amino-9-[(1S,3R,4S)-4-(dimethylphenylsilyl)-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one, with the CAS registry number 701278-07-1, is also known as 6H-Purin-6-one, 2-amino-9-[(1S,3R,4S)-4-(dimethylphenylsilyl)-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-. This chemical's molecular formula is C20H25N5O2Si and molecular weight is 395.53. What's more, its IUPAC name is called 2-Amino-9-[(1S,3R,4S)-4-[dimethyl(phenyl)silyl]-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one.
Physical properties about 2-Amino-9-[(1S,3R,4S)-4-(dimethylphenylsilyl)-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one are: (1)ACD/LogP: 3.578; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 307.77; (6)ACD/BCF (pH 7.4): 306.58; (7)ACD/KOC (pH 5.5): 2101.18; (8)ACD/KOC (pH 7.4): 2093.02; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 105.53 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 109.845 cm3; (15)Molar Volume: 293.199 cm3; (16)Polarizability: 43.546×10-24cm3; (17)Surface Tension: 47.74 dyne/cm; (18)Density: 1.349 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: C[Si](C)(c1ccccc1)[C@H]2C[C@@H](C(=C)[C@@H]2CO)n3cnc4c3nc([nH]c4=O)N
(2) InChI: InChI=1S/C20H25N5O2Si/c1-12-14(10-26)16(28(2,3)13-7-5-4-6-8-13)9-15(12)25-11-22-17-18(25)23-20(21)24-19(17)27/h4-8,11,14-16,26H,1,9-10H2,2-3H3,(H3,21,23,24,27)/t14-,15-,16-/m0/s1
(3) InChIKey: UFYJQSNORIUZKS-JYJNAYRXSA-N
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