ChemSpider 2D Image | dTDP-4-dehydro-6-deoxy-alpha-D-glucose | C16H24N2O15P2

dTDP-4-dehydro-6-deoxy-α-D-glucose

  • Molecular FormulaC16H24N2O15P2
  • Average mass546.314 Da
  • Monoisotopic mass546.065186 Da
  • ChemSpider ID388425

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R,4R,6R)-3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-pre ferred name) [ACD/IUPAC Name]
(2R,3R,4R,6R)-3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyldihydrogendiphosphat (non-prefer red name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,3R,4R,6R)-3,4-dihydroxy-6-méthyl-5-oxotétrahydro-2H-pyran-2-yle et de [(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthy le [French] [ACD/IUPAC Name]
dTDP-4-dehydro-6-deoxy-α-D-glucose
{[(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid
dTDP-4-dehydro-6-deoxy-??-D-glucose
dTDP-4-dehydro-6-deoxy-D-galactose
dTDP-4-dehydro-6-deoxy-D-glucose
dTDP-4-dehydro-6-deoxy-α-D-galactose
Dtdp-4-Keto-6-Deoxyglucose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C00687 [DBID]
CHEBI:16128 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -9.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 93.5±5.0 dyne/cm
Molar Volume: 306.0±5.0 cm3

Click to predict properties on the Chemicalize site


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