ChemSpider 2D Image | [(2R,3S,4R,5R)-5-Amino-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred nam e) | C15H25N6O16P3

[(2R,3S,4R,5R)-5-Amino-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred nam e)

  • Molecular FormulaC15H25N6O16P3
  • Average mass638.311 Da
  • Monoisotopic mass638.054016 Da
  • ChemSpider ID4810262

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-Amino-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred nam e) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-Amino-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-amino-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tétrahydro-2-furanyl]méthyle (non-pr eferred name) [French] [ACD/IUPAC Name]
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAP
NDP

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1061.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.9±3.0 kJ/mol
Flash Point: 595.9±37.1 °C
Index of Refraction: 1.890
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.41
ACD/LogD (pH 5.5): -10.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 373 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 173.5±7.0 dyne/cm
Molar Volume: 250.9±7.0 cm3

Click to predict properties on the Chemicalize site


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