ChemSpider 2D Image | [(2S,3S,4R,5S,6R)-5-Acetamido-3,4,6-trihydroxytetrahydro-2H-pyran-2-yl]carbonyl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphospha te | C17H25N3O18P2

[(2S,3S,4R,5S,6R)-5-Acetamido-3,4,6-trihydroxytetrahydro-2H-pyran-2-yl]carbonyl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphospha te

  • Molecular FormulaC17H25N3O18P2
  • Average mass621.337 Da
  • Monoisotopic mass621.060852 Da
  • ChemSpider ID168014

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2S,3S,4R,5S,6R)-5-Acetamido-3,4,6-trihydroxytetrahydro-2H-pyran-2-yl]carbonyl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphospha te [ACD/IUPAC Name]
[(2S,3S,4R,5S,6R)-5-Acetamido-3,4,6-trihydroxytetrahydro-2H-pyran-2-yl]carbonyl-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2S,3S,4R,5S,6R)-5-acétamido-3,4,6-trihydroxytétrahydro-2H-pyran-2-yl]carbonyle et de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-fu ranyl]méthyle [French] [ACD/IUPAC Name]
25174-34-9 [RN]
UDP-ManNAcA
UDP-N-acetyl-D-mannosaminuronic acid
UDP-N-acetylmannosaminuronic acid
Uridine diphosphate N-acetyl-D-mannosaminuronic acid
β-D-Mannopyranuronic acid, 2-(acetylamino)-2-deoxy-, 1-5'-ester with uridine 5'-(trihydrogen diphosphate)

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: -5.12
ACD/LogD (pH 5.5): -10.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.20
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


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