ChemSpider 2D Image | (2S,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydr
ogen diphosphate | C17H27N3O20P2S

(2S,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydr ogen diphosphate

  • Molecular FormulaC17H27N3O20P2S
  • Average mass687.417 Da
  • Monoisotopic mass687.038391 Da
  • ChemSpider ID389304
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2S,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydr ogen diphosphate [ACD/IUPAC Name]
(2S,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)tetrahydro-2H-pyran-2-yl-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydro gendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2S,3R,4R,5R,6R)-3-acétamido-4-hydroxy-6-(hydroxyméthyl)-5-(sulfooxy)tétrahydro-2H-pyran-2-yle et de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxyt étrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
UDP-N-acetyl-D-galactosamine 4-sulfate

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

C04426 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 23
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.42
ACD/LogD (pH 5.5): -11.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 372 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 118.1±5.0 dyne/cm
Molar Volume: 350.0±5.0 cm3

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