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142217-77-4

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Basic Information
CAS No.: 142217-77-4
Name: (1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol
Article Data: 4
Molecular Structure:
Molecular Structure of 142217-77-4 ((1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol)
Formula: C32H33N5O4
Molecular Weight: 551.645
Synonyms: Cyclopentanol,5-[2-amino-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-,[1S-(1a,2b,3a,5b)]- (9CI);
EINECS: 1312995-182-4
Density: 1.33 g/cm3
Boiling Point: 780.5 °C at 760 mmHg
Flash Point: 425.8 °C
Appearance: Colorless transparent liquid
PSA: 117.54000
LogP: 5.29280
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Chemistry

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

Specification

 (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) .