ChemSpider 2D Image | (1R,2xi)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-L-threo-pentitol | C9H12N2O6

(1R,2ξ)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-L-threo-pentitol

  • Molecular FormulaC9H12N2O6
  • Average mass244.201 Da
  • Monoisotopic mass244.069534 Da
  • ChemSpider ID111308216

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,2ξ)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-L-threo-pentitol [German] [ACD/IUPAC Name]
(1R,2ξ)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-L-threo-pentitol [ACD/IUPAC Name]
(1R,2ξ)-1,4-Anhydro-1-(2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-L-thréo-pentitol [French] [ACD/IUPAC Name]
L-threo-Pentitol, 1,4-anhydro-1-C-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-, (1R,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: 1.624
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.31
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.32
Polar Surface Area: 128 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 148.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement