ChemSpider 2D Image | 5-(5-Formylthiophen-2-Yl)uridine-5'(2-(Acetylamino)-2-Deoxy-Alpha-D-Galactosyl)-Diphosphate | C22H29N3O18P2S

5-(5-Formylthiophen-2-Yl)uridine-5'(2-(Acetylamino)-2-Deoxy-α-D-Galactosyl)-Diphosphate

  • Molecular FormulaC22H29N3O18P2S
  • Average mass717.487 Da
  • Monoisotopic mass717.064209 Da
  • ChemSpider ID35035157

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl {(2R,3S,4R,5R)-5-[5-(5-formyl-2-thienyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl }methyl dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl-{(2R,3S,4R,5R)-5-[5-(5-formyl-2-thienyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl }methyldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
5-(5-Formylthiophen-2-Yl)uridine-5'(2-(Acetylamino)-2-Deoxy-α-D-Galactosyl)-Diphosphate
Dihydrogénodiphosphate de (2R,3R,4R,5R,6R)-3-acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle et de {(2R,3S,4R,5R)-5-[5-(5-formyl-2-thiényl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]- 3,4-dihydroxytétrahydro-2-furanyl}méthyle (non-preferred name) [French] [ACD/IUPAC Name]

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: 1.683
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.99
ACD/LogD (pH 5.5): -9.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 365 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 111.9±5.0 dyne/cm
Molar Volume: 386.1±5.0 cm3

Click to predict properties on the Chemicalize site


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