ChemSpider 2D Image | (2R,3R,3aS,5S,7R,7aR)-2-(6-Amino-9H-purin-9-yl)-3,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid | C13H15N5O6

(2R,3R,3aS,5S,7R,7aR)-2-(6-Amino-9H-purin-9-yl)-3,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid

  • Molecular FormulaC13H15N5O6
  • Average mass337.288 Da
  • Monoisotopic mass337.102234 Da
  • ChemSpider ID58806500

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R,3aS,5S,7R,7aR)-2-(6-Amino-9H-purin-9-yl)-3,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-5-carbonsäure [German] [ACD/IUPAC Name]
(2R,3R,3aS,5S,7R,7aR)-2-(6-Amino-9H-purin-9-yl)-3,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(3,7-anhydro-6-deoxy-D-glycero-β-D-allo-octofuranuronosyl)- [ACD/Index Name]
Acide (2R,3R,3aS,5S,7R,7aR)-2-(6-amino-9H-purin-9-yl)-3,7-dihydroxyhexahydro-2H-furo[3,2-b]pyrane-5-carboxylique [French] [ACD/IUPAC Name]
60825-13-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.1 g/cm3
Boiling Point: 818.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 448.6±37.1 °C
Index of Refraction: 1.954
Molar Refractivity: 73.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 116.9±7.0 dyne/cm
Molar Volume: 151.6±7.0 cm3

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