ChemSpider 2D Image | 1-[(1S)-4-Thiopentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C9H12N2O5S

1-[(1S)-4-Thiopentofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H12N2O5S
  • Average mass260.267 Da
  • Monoisotopic mass260.046692 Da
  • ChemSpider ID23109500

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

1-[(1S)-4-Thiopentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(1S)-4-Thiopentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(1S)-4-Thiopentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(1S)-4-thiopentofuranosyl]- [ACD/Index Name]
1-((S)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidine-2,4-dione
1-[(1S)-4-thiopentofuranosyl]pyrimidine-2,4(1H,3H)-dione

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: 1.695
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.09
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.04
Polar Surface Area: 135 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 93.2±3.0 dyne/cm
Molar Volume: 154.2±3.0 cm3

Click to predict properties on the Chemicalize site


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