ChemSpider 2D Image | (2R,3R,4S,5R)-2-(5-Carbamoyl-1(2H)-pyridinyl)-5-({[(2R,3R,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}methyl)-4-hydroxytetrahydro-3-furanolate (non-preferred name) | C16H25N2O15P2

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

  • Molecular FormulaC16H25N2O15P2
  • Average mass547.322 Da
  • Monoisotopic mass547.073547 Da
  • ChemSpider ID57538958

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R,4S,5R)-2-(5-Carbamoyl-1(2H)-pyridinyl)-5-({[(2R,3R,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}methyl)-4-hydroxytetrahydro-3-furanolat (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(5-Carbamoyl-1(2H)-pyridinyl)-5-({[(2R,3R,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}methyl)-4-hydroxytetrahydro-3-furanolate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(5-Carbamoyl-1(2H)-pyridinyl)-5-({[(2R,3R,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxo-2-pentanyl]oxy}méthyl)-4-hydroxytétrahydro-3-furanolate (non-preferred name) [French] [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(5-Carbamoylpyridin-1(2H)-yl)-5-({[(2R,3R,4R)-3,4-dihydroxy-1-{[hydroxy(phosphonooxy)phosphoryl]oxy}-5-oxopentan-2-yl]oxy}methyl)-4-hydroxyoxolan-3-olate (non-preferred name)
57881-71-7 [RN]

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

Density:
Boiling Point: 1007.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.6±6.0 kJ/mol
Flash Point: 563.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.11
ACD/LogD (pH 5.5): -8.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement