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Cas Database |
| Name |
6-(Benzyloxy)-9-((1S,3R,3S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine |
EINECS | 1806241-263-5 |
| CAS No. | 142217-80-9 | Density | 1.19 g/cm3 |
| PSA | 92.55000 | LogP | 10.81030 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C53H49N5O4 | Boiling Point | N/A |
| Molecular Weight | 820.003 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
9H-Purin-2-amine,N-[(4-methoxyphenyl)diphenylmethyl]-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-,[1S-(1a,3a,4b)]- (9CI); |
Article Data | 4 |
6-(Benzyloxy)-9-((1S,3R,3S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine Specification
The 6-(Benzyloxy)-9-((1S,3R,3S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine, with its CAS registry number 142217-80-9, has the systematic name of 6-benzyloxy-9-[(1R,3R)-4-benzyloxy-3-(benzyloxymethyl)-2-methylene-cyclopentyl]-N-[(4-methoxyphenyl)-diphenyl-methyl]purin-2-amine.
The characteristics of this chemical are as below: (1)ACD/LogP: 11.00; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.99; (4)ACD/LogD (pH 7.4): 11; (5)#H bond acceptors: 9; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 16; (8)Polar Surface Area: 92.55 ; (9)Index of Refraction: 1.635; (10)Molar Refractivity: 245.76 cm3; (11)Molar Volume: 685.6 cm3; (12)Polarizability: 97.43 10-24cm3; (13)Surface Tension: 47.2 dyne/cm; (14)Density: 1.19 g/cm3.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)Nc4nc5c(c(n4)OCc6ccccc6)ncn5[C@@H]7CC([C@H](C7=C)COCc8ccccc8)OCc9ccccc9
(2)InChI:InChI=1/C53H49N5O4/c1-38-46(36-60-33-39-18-8-3-9-19-39)48(61-34-40-20-10-4-11-21-40)32-47(38)58-37-54-49-50(58)55-52(56-51(49)62-35-41-22-12-5-13-23-41)57-53(42-24-14-6-15-25-42,43-26-16-7-17-27-43)44-28-30-45(59-2)31-29-44/h3-31,37,46-48H,1,32-36H2,2H3,(H,55,56,57)/t46-,47+,48?/m0/s1
(3)InChIKey:OXHGMTPGAFKZHK-VRZSLFMVBX
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