ChemSpider 2D Image | THYMIDINE-5'- DIPHOSPHATE | C10H16N2O11P2

THYMIDINE-5'- DIPHOSPHATE

  • Molecular FormulaC10H16N2O11P2
  • Average mass402.188 Da
  • Monoisotopic mass402.022919 Da
  • ChemSpider ID26329907

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{2-Deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-L-erythro-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{2-Desoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-L-erythro-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{2-Désoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-α-L-érythro-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphinyl]-α-L-erythro-pentofuranosyl]-5-methyl- [ACD/Index Name]
THYMIDINE-5'- DIPHOSPHATE
{[hydroxy({[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 76.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.03
ACD/LogD (pH 5.5): -9.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 222.8±3.0 cm3

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