ChemSpider 2D Image | [[(2S,3R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-2,3-dihydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2S,3R,4S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate | C21H28N7O17P3

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

  • Molecular FormulaC21H28N7O17P3
  • Average mass743.405 Da
  • Monoisotopic mass743.075439 Da
  • ChemSpider ID61715032
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NDP

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1134.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.1±3.0 kJ/mol
Flash Point: 639.8±37.1 °C
Index of Refraction: 1.849
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 24
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -6.14
ACD/LogD (pH 5.5): -11.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 394 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 142.2±7.0 dyne/cm
Molar Volume: 326.4±7.0 cm3

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