ChemSpider 2D Image | [(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate | C15H24N5O16P3

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

  • Molecular FormulaC15H24N5O16P3
  • Average mass623.296 Da
  • Monoisotopic mass623.043091 Da
  • ChemSpider ID393480
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

[(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate [ACD/IUPAC Name]
[(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methyl-[(2R,3S,4S)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
[(2r,3r,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3-Hydroxy-4-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl [(2r,3s,4s)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate
Dihydrogénodiphosphate de [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tétrahydro-2-furanyl]méthyle et de [(2R,3S,4S)-3,4-dihydroxytétrahydro-2-furanyl]méthyle (non-preferred nam e) [French] [ACD/IUPAC Name]
NA7
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

Density: 2.5±0.1 g/cm3
Boiling Point: 1041.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.5±3.0 kJ/mol
Flash Point: 583.5±37.1 °C
Index of Refraction: 1.854
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.05
ACD/LogD (pH 5.5): -11.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 159.6±7.0 dyne/cm
Molar Volume: 254.2±7.0 cm3

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