ChemSpider 2D Image | 3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE | C12H18N2O12P2

3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE

  • Molecular FormulaC12H18N2O12P2
  • Average mass444.225 Da
  • Monoisotopic mass444.033508 Da
  • ChemSpider ID26329758

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{3-O-Acetyl-2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-D-erythro-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{3-O-Acetyl-2-desoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-D-erythro-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{3-O-Acétyl-2-désoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-D-érythro-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[3-O-acetyl-2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphinyl]-α-D-erythro-pentofuranosyl]-5-methyl- [ACD/Index Name]
3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE
[({[(2R,3S,5S)-3-(acetyloxy)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
{[(2R,3S,5S)-3-(acetyloxy)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid

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: 1.583
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -3.25
ACD/LogD (pH 5.5): -8.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 257.4±5.0 cm3

Click to predict properties on the Chemicalize site


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