ChemSpider 2D Image | [(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (4S,6S)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred nam e) | C16H24N2O14P2

[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (4S,6S)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred nam e)

  • Molecular FormulaC16H24N2O14P2
  • Average mass530.314 Da
  • Monoisotopic mass530.070251 Da
  • ChemSpider ID391721

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (4S,6S)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred nam e) [ACD/IUPAC Name]
[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl-(4S,6S)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle et de (4S,6S)-4-hydroxy-6-méthyl-5-oxotétrahydro-2H-pyran-2-yle (non-pr eferred name) [French] [ACD/IUPAC Name]
dTDP-4-oxo-2,6-dideoxy-L-mannose

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

C11927 [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: 1.602
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.12
ACD/LogD (pH 5.5): -9.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement