ChemSpider 2D Image | THYMIDINE-3',5'-DIPHOSPHATE | C10H16N2O11P2

THYMIDINE-3',5'-DIPHOSPHATE

  • Molecular FormulaC10H16N2O11P2
  • Average mass402.188 Da
  • Monoisotopic mass402.022919 Da
  • ChemSpider ID26329101

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-3,5-di-O-phosphono-α-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2-Desoxy-3,5-di-O-phosphono-α-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2-Désoxy-3,5-di-O-phosphono-α-L-érythro-pentofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-3,5-di-O-phosphono-α-L-erythro-pentofuranosyl)-5-methyl- [ACD/Index Name]
THYMIDINE-3',5'-DIPHOSPHATE
{[(2S,3R,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}phosphonic acid
09/04/1963
THP

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: 1.614
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -8.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 95.4±5.0 dyne/cm
Molar Volume: 219.5±5.0 cm3

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