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91296-15-0

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Basic Information
CAS No.: 91296-15-0
Name: 4-(2,6-diamino-9H-purin-9-yl)-2-(hydroxymethyl)cyclopentanol
Molecular Structure:
Molecular Structure of 91296-15-0 (4-(2,6-diamino-9H-purin-9-yl)-2-(hydroxymethyl)cyclopentanol)
Formula: C11H16N6O2
Molecular Weight: 264.287
Synonyms: Cyclopentanemethanol,4-(2,6-diamino-9H-purin-9-yl)-2-hydroxy-, (1a,2b,4a)-(?à)-;Cyclopentanemethanol, 4-(2,6-diamino-9H-purin-9-yl)-2-hydroxy-, (1a,2b,4a)-;NSC181924;
Density: 1.92g/cm3
Boiling Point: 678.4 °C at 760 mmHg
Flash Point: 364.1 °C
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Specification

The Cyclopentanemethanol,4-(2,6-diamino-9H-purin-9-yl)-2-hydroxy-, (1R,2S,4R)-rel-, with CAS registry number 91296-15-0, has the systematic name of 4-(2,6-diamino-9H-purin-9-yl)-2-(hydroxymethyl)cyclopentanol. And its IUPAC name is the same one. What's more, the chemical formula of this chemical is C11H16N6O2.

Physical properties of Cyclopentanemethanol,4-(2,6-diamino-9H-purin-9-yl)-2-hydroxy-, (1R,2S,4R)-rel-: (1)ACD/LogP: -1.22; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 68.54 Å2; (7)Index of Refraction: 1.907; (8)Molar Refractivity: 64.24 cm3; (9)Molar Volume: 137.2 cm3; (10)Polarizability: 25.46×10-24cm3; (11)Surface Tension: 99.7 dyne/cm; (12)Density: 1.92 g/cm3; (13)Flash Point: 364.1 °C; (14)Enthalpy of Vaporization: 104.59 kJ/mol; (15)Boiling Point: 678.4 °C at 760 mmHg; (16)Vapour Pressure: 2.49E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2ncn(c2nc1N)C3CC(CO)C(O)C3)N
(2)InChI: InChI=1/C11H16N6O2/c12-9-8-10(16-11(13)15-9)17(4-14-8)6-1-5(3-18)7(19)2-6/h4-7,18-19H,1-3H2,(H4,12,13,15,16)
(3)InChIKey: MAGAOIQNXNHTLK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H16N6O2/c12-9-8-10(16-11(13)15-9)17(4-14-8)6-1-5(3-18)7(19)2-6/h4-7,18-19H,1-3H2,(H4,12,13,15,16)
(5)Std. InChIKey: MAGAOIQNXNHTLK-UHFFFAOYSA-N