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118353-05-2

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Basic Information
CAS No.: 118353-05-2
Name: Carbovir
Article Data: 1
Molecular Structure:
Molecular Structure of 118353-05-2 (Carbovir)
Formula: C11H13N5O2
Molecular Weight: 247.257
Synonyms: (?à)-Carbovir;6H-Purin-6-one,2-amino-1,9-dihydro-9-[4-(hydroxymethyl)-2-cyclopenten-1-yl]-, cis-;GR 90352X;NSC 614846;
Density: 1.76g/cm3
Melting Point: 267-269°C
Boiling Point: 605.6 °C at 760 mmHg
Flash Point: 320.1 °C
Solubility: 1.24g/L(25 oC)
PSA: 109.82000
LogP: 0.39250
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Chemistry

Molecular Structure of Carbovir (CAS NO.118353-05-2):

IUPAC Name: 2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one 
Empirical Formula: C11H13N5O2
Molecular Weight: 247.2532
H bond acceptors: 7
H bond donors: 4
Freely Rotating Bonds: 3
Polar Surface Area: 62.96Å2
Index of Refraction: 1.841
Molar Refractivity: 62.32 cm3
Molar Volume: 140.4 cm3
Surface Tension: 85 dyne/cm
Density: 1.76 g/cm3
Flash Point: 320.1 °C
Enthalpy of Vaporization: 94.67 kJ/mol
Boiling Point: 605.6 °C at 760 mmHg
Vapour Pressure: 1.62E-15 mmHg at 25°C
Product Categories: Antiviral Agents
InChI
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)
Smiles
c12c(ncn1[C@@H]1C=C[C@@H](C1)CO)c(=O)[nH]c(n2)N

Specification

 Carbovir , with CAS number of 118353-05-2, can be called 6H-Purin-6-one,2-amino-1,9-dihydro-9-[4-(hydroxymethyl)-2-cyclopenten-1-yl]-, cis- ; 9H-purin-6-ol, 2-amino-9-[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]- ; 2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-9H-purin-6-ol ; 2-Amino-9-[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-1,9-dihydro-6H-purin-6-one .