-
Name
6-(Benzyloxy)-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-9H-purine-2-amine
- EINECS
- CAS No. 204845-95-4
- Density 1.26 g/cm3
- Solubility
- Melting Point
- Formula C33H33N5O3
- Boiling Point 750.8 °C at 760 mmHg
- Molecular Weight 547.65
- Flash Point 407.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 9H-Purin-2-amine,9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-,[1S-(1a,3a,4b)]-;
- PSA 97.31000
- LogP 6.24050
6-(Benzyloxy)-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-9H-purine-2-amine Chemical Properties
Following is the structure of 6-(Benzyloxy)-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-9H-purine-2-amine (CAS NO.204845-95-4):
Molecular Formula: C33H33N5O3
Molecular Weight: 547.65
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 11
Polar Surface Area: 97.31 Å2
Index of Refraction: 1.653
Molar Refractivity: 158.35 cm3
Molar Volume: 432.1 cm3
Density: 1.26 g/cm3
Flash Point: 407.8 °C
Surface Tension: 50.2 dyne/cm
Enthalpy of Vaporization: 109.42 kJ/mol
Boiling Point: 750.8 °C at 760 mmHg
Vapour Pressure of 6-(Benzyloxy)-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-9H-purine-2-amine (CAS NO.204845-95-4): 2.02E-22 mmHg at 25 °C
SMILES: C=C1[C@H](C[C@@H]([C@H]1COCc2ccccc2)OCc3ccccc3)n4cnc5c4nc(nc5OCc6ccccc6)N
InChI: InChI=1/C33H33N5O3/c1-23-27(21-39-18-24-11-5-2-6-12-24)29(40-19-25-13-7-3-8-14-25)17-28(23)38-22-35-30-31(38)36-33(34)37-32(30)41-20-26-15-9-4-10-16-26/h2-16,22,27-29H,1,17-21H2,(H2,34,36,37)/t27-,28-,29-/m0/s1
InChIKey: NZZOWGOYNQDEDC-AWCRTANDBG
6-(Benzyloxy)-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-9H-purine-2-amine Specification
6-(Benzyloxy)-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-9H-purine-2-amine , its cas register number 204845-95-4. It also can be called 6-(Benzyloxy)-9-(1S,3R,4S)-4-(benzyloxy)-3-(benzyoxymethyl)-2-methylenecyclopentyl)-9H-purin-2-amine ; and 9H-Purine-2-amine, 9-[(1S, 3R, 4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy) .
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