ChemSpider 2D Image | 5'-O-[(R)-Hydroxy({(R)-hydroxy[(2S)-2-hydroxypropoxy]phosphoryl}oxy)phosphoryl]adenosine 2'-(dihydrogen phosphate) | C13H22N5O14P3

5'-O-[(R)-Hydroxy({(R)-hydroxy[(2S)-2-hydroxypropoxy]phosphoryl}oxy)phosphoryl]adenosine 2'-(dihydrogen phosphate)

  • Molecular FormulaC13H22N5O14P3
  • Average mass565.260 Da
  • Monoisotopic mass565.037598 Da
  • ChemSpider ID393655

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-[(R)-Hydroxy({(R)-hydroxy[(2S)-2-hydroxypropoxy]phosphoryl}oxy)phosphoryl]adenosin2'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5'-O-[(R)-Hydroxy({(R)-hydroxy[(2S)-2-hydroxypropoxy]phosphoryl}oxy)phosphoryl]adenosine 2'-(dihydrogen phosphate) [ACD/IUPAC Name]
5'-O-[(R)-Hydroxy({(R)-hydroxy[(2S)-2-hydroxypropoxy]phosphoryl}oxy)phosphoryl]adénosine-2'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-hydroxy[[(R)-hydroxy[(2S)-2-hydroxypropoxy]phosphinyl]oxy]phosphinyl]-, 2'-(dihydrogen phosphate) [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: 2.3±0.1 g/cm3
Boiling Point: 951.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.0±3.0 kJ/mol
Flash Point: 529.0±37.1 °C
Index of Refraction: 1.796
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.35
ACD/LogD (pH 5.5): -10.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 318 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 141.4±7.0 dyne/cm
Molar Volume: 246.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement