ChemSpider 2D Image | (2S,4S,5R,6R)-4,5-Dihydroxy-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-prefe rred name) | C17H28N2O14P2

(2S,4S,5R,6R)-4,5-Dihydroxy-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-prefe rred name)

  • Molecular FormulaC17H28N2O14P2
  • Average mass546.357 Da
  • Monoisotopic mass546.101563 Da
  • ChemSpider ID391935

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,4S,5R,6R)-4,5-Dihydroxy-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-prefe rred name) [ACD/IUPAC Name]
(2S,4S,5R,6R)-4,5-Dihydroxy-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-preferre d name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2S,4S,5R,6R)-4,5-dihydroxy-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]méthyle [French] [ACD/IUPAC Name]
dTDP-β-D-mycarose

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

C12444 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.35
ACD/LogD (pH 5.5): -8.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 325.1±5.0 cm3

Click to predict properties on the Chemicalize site


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