ChemSpider 2D Image | (4R,6R)-4-Amino-6-methyl-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 | C16H25N3O13P2

(4R,6R)-4-Amino-6-methyl-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

  • Molecular FormulaC16H25N3O13P2
  • Average mass529.330 Da
  • Monoisotopic mass529.086243 Da
  • ChemSpider ID391862

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4R,6R)-4-Amino-6-methyl-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 [ACD/IUPAC Name]
(4R,6R)-4-Amino-6-methyl-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 [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (4R,6R)-4-amino-6-méthyl-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 (non-pref erred name) [French] [ACD/IUPAC Name]
dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose

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

C12318 [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: 107.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.18
ACD/LogD (pH 5.5): -8.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 83.2±5.0 dyne/cm
Molar Volume: 314.4±5.0 cm3

Click to predict properties on the Chemicalize site


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