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142217-81-0

Basic Information
CAS No.: 142217-81-0
Name: 2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one
Article Data: 6
Molecular Structure:
Molecular Structure of 142217-81-0 (2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one)
Formula: C26H27N5O3
Molecular Weight: 457.532
Synonyms: 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6H-Purin-6-one;
EINECS: 1312995-182-4
Density: 1.34 g/cm3
PSA: 108.05000
LogP: 4.20240
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Chemistry

Following is the structure of 6H-Purin-6-one,2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]- (CAS NO.142217-81-0):
                               
Empirical Formula: C26H27N5O3
Molecular Weight: 457.5243 
Index of Refraction: 1.679
Molar Refractivity: 128.1 cm3
Molar Volume: 339.2 cm3
Density: 1.34 g/cm3
Polarizability: 50.78 10-24cm3
Surface Tension 6H-Purin-6-one,2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]- (CAS NO.142217-81-0): 54.4 dyne/cm
SMILES: C=C5[C@H](COCc1ccccc1)[C@@H](OCc2ccccc2)C[C@@H]5n4cnc3c4\N=C(\N)NC3=O
InChI: InChI=1/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1
InChIKey: KROVOOOAPHSWCR-FKBYEOEOBN

Uses

 6H-Purin-6-one,2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]- (CAS NO.142217-81-0) canbe usedas the intermediates of Entecavir .

Specification

 6H-Purin-6-one,2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]- , its cas register number 142217-81-0. It also can be called 2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one .