ChemSpider 2D Image | 2-Amino-7-[(2E)-3-carboxy-2-propen-1-yl]-9-(beta-D-xylofuranosyl)-7,9-dihydro-3H-purine-6,8-dione | C14H17N5O8

2-Amino-7-[(2E)-3-carboxy-2-propen-1-yl]-9-(β-D-xylofuranosyl)-7,9-dihydro-3H-purine-6,8-dione

  • Molecular FormulaC14H17N5O8
  • Average mass383.314 Da
  • Monoisotopic mass383.107727 Da
  • ChemSpider ID128922310

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-7-[(2E)-3-carboxy-2-propen-1-yl]-9-(β-D-xylofuranosyl)-7,9-dihydro-3H-purin-6,8-dion [German] [ACD/IUPAC Name]
2-Amino-7-[(2E)-3-carboxy-2-propen-1-yl]-9-(β-D-xylofuranosyl)-7,9-dihydro-3H-purine-6,8-dione [ACD/IUPAC Name]
2-Amino-7-[(2E)-3-carboxy-2-propén-1-yl]-9-(β-D-xylofuranosyl)-7,9-dihydro-3H-purine-6,8-dione [French] [ACD/IUPAC Name]
3H-Purine-6,8-dione, 2-amino-7-[(2E)-3-carboxy-2-propen-1-yl]-7,9-dihydro-9-β-D-xylofuranosyl- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 736.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 399.0±35.7 °C
Index of Refraction: 1.834
Molar Refractivity: 82.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.31
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 107.6±7.0 dyne/cm
Molar Volume: 187.6±7.0 cm3

Click to predict properties on the Chemicalize site


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