ChemSpider 2D Image | (2R,3R,4R,5R)-2-(3-Carbamoyl-1-pyridiniumyl)-5-({[(2R,3S,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}methyl)-4-hydroxytetrahydro-3-furanolate | C16H24N2O15P2

(2R,3R,4R,5R)-2-(3-Carbamoyl-1-pyridiniumyl)-5-({[(2R,3S,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}methyl)-4-hydroxytetrahydro-3-furanolate

  • Molecular FormulaC16H24N2O15P2
  • Average mass546.314 Da
  • Monoisotopic mass546.065186 Da
  • ChemSpider ID168067

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R,4R,5R)-2-(3-Carbamoyl-1-pyridiniumyl)-5-({[(2R,3S,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}methyl)-4-hydroxytetrahydro-3-furanolat [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2-(3-Carbamoyl-1-pyridiniumyl)-5-({[(2R,3S,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}methyl)-4-hydroxytetrahydro-3-furanolate [ACD/IUPAC Name]
(2R,3R,4R,5R)-2-(3-Carbamoyl-1-pyridiniumyl)-5-({[(2R,3S,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}méthyl)-4-hydroxytétrahydro-3-furanolate [French] [ACD/IUPAC Name]
30419-23-9 [RN]
D-Ribofuranose, 5-(trihydrogen diphosphate), 5-5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt
Namrdpr

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.69
ACD/LogD (pH 5.5): -7.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability:
Surface Tension:
Molar Volume:

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