ChemSpider 2D Image | N-[3-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propyl]-2-oxo-7-(beta-D-talopyranosyloxy)-2H-chromene-3-carboxamide | C26H29N5O11

N-[3-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propyl]-2-oxo-7-(β-D-talopyranosyloxy)-2H-chromene-3-carboxamide

  • Molecular FormulaC26H29N5O11
  • Average mass587.535 Da
  • Monoisotopic mass587.186340 Da
  • ChemSpider ID25992266

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-3-carboxamide, 2-oxo-7-(β-D-talopyranosyloxy)-N-[3-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)propyl]- [ACD/Index Name]
N-[3-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propyl]-2-oxo-7-(β-D-talopyranosyloxy)-2H-chromen-3-carboxamid [German] [ACD/IUPAC Name]
N-[3-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propyl]-2-oxo-7-(β-D-talopyranosyloxy)-2H-chromene-3-carboxamide [ACD/IUPAC Name]
N-[3-(1,3-Diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)propyl]-2-oxo-7-(β-D-talopyranosyloxy)-2H-chromène-3-carboxamide [French] [ACD/IUPAC Name]
N-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-3-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.11
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 224 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 85.8±3.0 dyne/cm
Molar Volume: 369.4±3.0 cm3

Click to predict properties on the Chemicalize site


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