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

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

  • Molecular FormulaC16H24N2O14P2
  • Average mass530.314 Da
  • Monoisotopic mass530.070251 Da
  • ChemSpider ID389902
  • defined stereocentres - 6 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 (2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl-(2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-preferred nam e) [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 (2R,4R,6R)-4-hydroxy-6-méthyl-5-oxotétrahydro-2H-pyran-2-yle (non -preferred name) [French] [ACD/IUPAC Name]
[(2r,3s,5r)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)tetrahydrofuran-2-Yl]methyl (2r,4r,6r)-4-Hydroxy-6-Methyl-5-Oxotetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate
3YN
dTDP-4-dehydro-2,6-dideoxy-α-D-glucose
dTDP-4-keto-2,6-dideoxy-α-D-glucose
dTDP-4-oxo-2,6-dideoxy-D-glucose
dTDP-4-oxo-2,6-dideoxy-α-D-glucose
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85368
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C06621 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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






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