ChemSpider 2D Image | [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-carbamoyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate | C21H31N7O14P2

[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-(3-carbamoyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC21H31N7O14P2
  • Average mass667.457 Da
  • Monoisotopic mass667.140442 Da
  • ChemSpider ID35034444

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

NAd
NICOTINAMIDE-ADENINE-DINUCLEOTIDE

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1088.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.4±3.0 kJ/mol
Flash Point: 612.3±37.1 °C
Index of Refraction: 1.845
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.51
ACD/LogD (pH 5.5): -8.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 337 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 126.9±7.0 dyne/cm
Molar Volume: 305.2±7.0 cm3

Click to predict properties on the Chemicalize site


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