ChemSpider 2D Image | [(2R,3S,4R,5R)-4-Acetamido-3,5-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate | C17H26N6O14P2

[(2R,3S,4R,5R)-4-Acetamido-3,5-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate

  • Molecular FormulaC17H26N6O14P2
  • Average mass600.368 Da
  • Monoisotopic mass600.098206 Da
  • ChemSpider ID26326020
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(2r,3s,4r,5r)-4-(Acetylamino)-3,5-Dihydroxytetrahydrofuran-2-Yl]methyl [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate
[(2R,3S,4R,5R)-4-Acetamido-3,5-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-4-Acetamido-3,5-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-4-acétamido-3,5-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle (non-preferred n ame) [French] [ACD/IUPAC Name]
A2N

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.831
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.33
ACD/LogD (pH 5.5): -9.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 128.6±7.0 dyne/cm
Molar Volume: 266.0±7.0 cm3

Click to predict properties on the Chemicalize site






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