ChemSpider 2D Image | dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose | C17H27N3O13P2

dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose

  • Molecular FormulaC17H27N3O13P2
  • Average mass543.356 Da
  • Monoisotopic mass543.101929 Da
  • ChemSpider ID25061183

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4S,6R)-4-Amino-4,6-dimethyl-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-preferre d name) [ACD/IUPAC Name]
(2R,4S,6R)-4-Amino-4,6-dimethyl-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-preferred n ame) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,4S,6R)-4-amino-4,6-diméthyl-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]méthyle (n on-preferred name) [French] [ACD/IUPAC Name]
dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose
(2r,4s,6r)-4-Amino-4,6-Dimethyl-5-Oxotetrahydro-2h-Pyran-2-Yl [(2r,3s,5r)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)tetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate (Non-Preferred Name)
JHZ

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: 1.597
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.64
ACD/LogD (pH 5.5): -8.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

Click to predict properties on the Chemicalize site


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