ChemSpider 2D Image | dTDP-beta-L-vancosamine | C17H29N3O13P2

dTDP-β-L-vancosamine

  • Molecular FormulaC17H29N3O13P2
  • Average mass545.372 Da
  • Monoisotopic mass545.117554 Da
  • ChemSpider ID10362212

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4S,5S,6S)-4-Amino-5-hydroxy-4,6-dimethyltetrahydro-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-p referred name) [ACD/IUPAC Name]
(2R,4S,5S,6S)-4-Amino-5-hydroxy-4,6-dimethyltetrahydro-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-pref erred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,4S,5S,6S)-4-amino-5-hydroxy-4,6-diméthyltétrahydro-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]mét hyle [French] [ACD/IUPAC Name]
dTDP-β-L-vancosamine
dTDP-3-amino-2,3,6-trideoxy-3-C-methyl-β-L-lyxo-hexopyranose
dTDP-L-vancosamine
thymidine 5'-{3-[3-amino-2,3,6-trideoxy-3-methyl-β-L-lyxo-hexopyranosyl] dihydrogen diphosphate}

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.78
ACD/LogD (pH 5.5): -7.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 256 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 331.3±5.0 cm3

Click to predict properties on the Chemicalize site


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