ChemSpider 2D Image | (2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phosphonooxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2H-pyran-2-carboxyli c acid | C15H22N2O18P2

(2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phosphonooxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2H-pyran-2-carboxyli c acid

  • Molecular FormulaC15H22N2O18P2
  • Average mass580.285 Da
  • Monoisotopic mass580.034302 Da
  • ChemSpider ID168226

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phosphonooxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2H-pyran-2-carbonsäu re [German] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phosphonooxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2H-pyran-2-carboxyli c acid [ACD/IUPAC Name]
Acide (2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(phosphonooxy)phosphoryl]oxy}-3,5,6-trihydroxytétrahydro-2H-pyrane-2-ca rboxylique [French] [ACD/IUPAC Name]
50722-58-2 [RN]
Udp-galacturonic acid
Udp-gal-UA
uridine 5'-(α-D-galactopyranosyluronic acid pyrophosphate)
α-D-Galactopyranuronic acid, 1-5'-ester with uridine 5'-(trihydrogen diphosphate)

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.03
ACD/LogD (pH 5.5): -9.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 133.7±5.0 dyne/cm
Molar Volume: 283.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement