ChemSpider 2D Image | 9-{5-O-[{[{(2S,3S)-2-[(3-Carbamoyl-1(4H)-pyridinyl)methoxy]-3-hydroxy-4-oxobutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-phosphono-L-threo-pent-1-enofuranosyl}-9H-purin-6-amine | C21H28N7O17P3

9-{5-O-[{[{(2S,3S)-2-[(3-Carbamoyl-1(4H)-pyridinyl)methoxy]-3-hydroxy-4-oxobutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-phosphono-L-threo-pent-1-enofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC21H28N7O17P3
  • Average mass743.405 Da
  • Monoisotopic mass743.075439 Da
  • ChemSpider ID17286403

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-{5-O-[{[{(2S,3S)-2-[(3-Carbamoyl-1(4H)-pyridinyl)methoxy]-3-hydroxy-4-oxobutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-phosphono-L-threo-pent-1-enofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[{[{(2S,3S)-2-[(3-Carbamoyl-1(4H)-pyridinyl)methoxy]-3-hydroxy-4-oxobutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-phosphono-L-threo-pent-1-enofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[{[{(2S,3S)-2-[(3-Carbamoyl-1(4H)-pyridinyl)méthoxy]-3-hydroxy-4-oxobutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-phosphono-L-thréo-pent-1-énofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[(2S,3S)-2-[[3-(aminocarbonyl)-1(4H)-pyridinyl]methoxy]-3-hydroxy-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-2-O-phosphono-L-threo-pent-1-enofuranosyl]- [ACD/Index Name]
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NDP

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1137.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.7±3.0 kJ/mol
Flash Point: 642.0±37.1 °C
Index of Refraction: 1.776
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -4.47
ACD/LogD (pH 5.5): -10.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 390 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 123.0±7.0 dyne/cm
Molar Volume: 355.0±7.0 cm3

Click to predict properties on the Chemicalize site


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