ChemSpider 2D Image | 1-{3,5-Bis-O-[butoxy(hydroxy)phosphoryl]-2-deoxy-alpha-L-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C18H32N2O11P2

1-{3,5-Bis-O-[butoxy(hydroxy)phosphoryl]-2-deoxy-α-L-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC18H32N2O11P2
  • Average mass514.401 Da
  • Monoisotopic mass514.148132 Da
  • ChemSpider ID8133722

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{3,5-Bis-O-[butoxy(hydroxy)phosphoryl]-2-deoxy-α-L-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{3,5-Bis-O-[butoxy(hydroxy)phosphoryl]-2-desoxy-α-L-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{3,5-Bis-O-[butoxy(hydroxy)phosphoryl]-2-désoxy-α-L-thréo-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[3,5-bis-O-(butoxyhydroxyphosphinyl)-2-deoxy-α-L-threo-pentofuranosyl]-5-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -5.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 366.0±5.0 cm3

Click to predict properties on the Chemicalize site


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