ChemSpider 2D Image | (2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl (2S,3S,4R,5R)-5-acetamido-3,4,6-trihydroxytetrahydro-2H-pyran-2 -carboxylate | C17H25N3O18P2

(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl (2S,3S,4R,5R)-5-acetamido-3,4,6-trihydroxytetrahydro-2H-pyran-2 -carboxylate

  • Molecular FormulaC17H25N3O18P2
  • Average mass621.337 Da
  • Monoisotopic mass621.060852 Da
  • ChemSpider ID2339659

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl (2S,3S,4R,5R)-5-acetamido-3,4,6-trihydroxytetrahydro-2H-pyran-2 -carboxylate [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl-(2S,3S,4R,5R)-5-acetamido-3,4,6-trihydroxytetrahydro-2H-pyran-2 -carboxylat [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-Acétamido-3,4,6-trihydroxytétrahydro-2H-pyrane-2-carboxylate de (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}méthyl)tétr ahydro-3-furanyle [French] [ACD/IUPAC Name]
21654-37-5 [RN]
D-Glucopyranuronic acid, 2-(acetylamino)-2-deoxy-, 1-P'-ester with uridine 5'-(trihydrogen diphosphate)
Udp-glcnaca
Udp-N-acetyl-D-glucosaminuronic acid
Udp-N-acetylglucosaminuronic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.02
ACD/LogD (pH 5.5): -10.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 337 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 116.8±5.0 dyne/cm
Molar Volume: 322.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement