ChemSpider 2D Image | (1S,2xi)-1,4-Anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-D-threo-pentitol | C10H14N2O6

(1S,2ξ)-1,4-Anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-D-threo-pentitol

  • Molecular FormulaC10H14N2O6
  • Average mass258.228 Da
  • Monoisotopic mass258.085175 Da
  • ChemSpider ID128910244

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,2ξ)-1,4-Anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-D-threo-pentitol [German] [ACD/IUPAC Name]
(1S,2ξ)-1,4-Anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-D-threo-pentitol [ACD/IUPAC Name]
(1S,2ξ)-1,4-Anhydro-1-(3-méthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,4-anhydro-1-C-(1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-5-pyrimidinyl)-, (1S,2ξ)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.37
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.35
Polar Surface Area: 119 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 163.8±3.0 cm3

Click to predict properties on the Chemicalize site


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