ChemSpider 2D Image | ETHENO-NAD | C17H23N5O14P2

ETHENO-NAD

  • Molecular FormulaC17H23N5O14P2
  • Average mass583.337 Da
  • Monoisotopic mass583.071655 Da
  • ChemSpider ID26329741

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2S,3R,4R,5R)-3,4-Dihydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)tetrahydro-2-furanyl]methyl [(2R,3S,4S,5S)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate [ACD/IUPAC Name]
[(2S,3R,4R,5R)-3,4-Dihydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)tetrahydro-2-furanyl]methyl-[(2R,3S,4S,5S)-3,4,5-trihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2S,3R,4R,5R)-3,4-dihydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)tétrahydro-2-furanyl]méthyle et de [(2R,3S,4S,5S)-3,4,5-trihydroxytétrahydro-2-furanyl]méthyle (non-preferred name ) [French] [ACD/IUPAC Name]
ETHENO-NAD
[({[(2S,3R,4R,5R)-3,4-dihydroxy-5-{3H-imidazo[2,1-f]purin-3-yl}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy})phosphinic acid

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.881
Molar Refractivity: 113.5±0.5 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.06
ACD/LogD (pH 5.5): -9.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 142.4±7.0 dyne/cm
Molar Volume: 247.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement