ChemSpider 2D Image | 1-[(2R,3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2,4(1H,3H)-pyrimidinedione | C9H11N2O7PS

1-[(2R,3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H11N2O7PS
  • Average mass322.232 Da
  • Monoisotopic mass322.002472 Da
  • ChemSpider ID35034480

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-[(2R,3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(2R,3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(2r,3ar,4r,6r,6ar)-2-Hydroxy-6-(Hydroxymethyl)-2-Sulfidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4-Yl]pyrimidine-2,4(1h,3h)-Dione
1-[(2R,3aR,4R,6R,6aR)-2-Hydroxy-6-(hydroxyméthyl)-2-sulfydotétrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(2R,3aR,4R,6R,6aR)-tetrahydro-2-hydroxy-6-(hydroxymethyl)-2-sulfidofuro[3,4-d]-1,3,2-dioxaphosphol-4-yl]- [ACD/Index Name]
UPT

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 67.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 159 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 105.1±5.0 dyne/cm
Molar Volume: 173.1±5.0 cm3

Click to predict properties on the Chemicalize site


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