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Name |
(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol |
EINECS | 1312995-182-4 |
CAS No. | 142217-77-4 | Density | 1.33 g/cm3 |
PSA | 117.54000 | LogP | 5.29280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C32H33N5O4 | Boiling Point | 780.5 °C at 760 mmHg |
Molecular Weight | 551.645 | Flash Point | 425.8 °C |
Transport Information | N/A | Appearance | Colorless transparent liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cyclopentanol,5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-,[1S-(1a,2b,3a,5b)]- (9CI); |
Article Data | 4 |
Following is the structure of (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol (CAS NO.142217-77-4):
Molecular Formula: C32H33N5O4
Molecular Weight: 551.64
Index of Refraction: 1.67
H bond acceptors: 9
H bond donors: 3
Freely Rotating Bonds: 12
Polar Surface Area: 117.54 Å2
Molar Refractivity: 154.78 cm3
Molar Volume: 414.1 cm3
Density: 1.33 g/cm3
Flash Point: 425.8 °C
Surface Tension: 54.3 dyne/cm
Enthalpy of Vaporization: 119.13 kJ/mol
Boiling Point: 780.5 °C at 760 mmHg
Vapour Pressure of (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol (CAS NO.142217-77-4): 1.19E-25 mmHg at 25 °C
SMILES: c1ccc(cc1)COC[C@@H]2[C@H](C[C@@H]([C@H]2O)n3cnc4c3nc(nc4OCc5ccccc5)N)OCc6ccccc6
InChI: InChI=1/C32H33N5O4/c33-32-35-30-28(31(36-32)41-19-24-14-8-3-9-15-24)34-21-37(30)26-16-27(40-18-23-12-6-2-7-13-23)25(29(26)38)20-39-17-22-10-4-1-5-11-22/h1-15,21,25-27,29,38H,16-20H2,(H2,33,35,36)/t25-,26+,27+,29+/m1/s1
InChIKey: SYPCZZWUNIHLBU-COROXYKFBQ
Std. InChI: InChI=1S/C32H33N5O4/c33-32-35-30-28(31(36-32)41-19-24-14-8-3-9-15-24)34-21-37(30)26-16-27(40-18-23-12-6-2-7-13-23)25(29(26)38)20-39-17-22-10-4-1-5-11-22/h1-15,21,25-27,29,38H,16-20H2,(H2,33,35,36)/t25-,26+,27+,29+/m1/s1
Std. InChIKey: SYPCZZWUNIHLBU-COROXYKFSA-N
(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol , its cas register number 142217-77-4. It also can be called Cyclopentanol,5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-,[1S-(1a,2b,3a,5b)]- (9CI) .