ChemSpider 2D Image | 1-Deoxy-1-({2,6-dihydroxy-5-[(2-oxopropyl)amino]-4-pyrimidinyl}amino)-D-ribitol | C12H20N4O7

1-Deoxy-1-({2,6-dihydroxy-5-[(2-oxopropyl)amino]-4-pyrimidinyl}amino)-D-ribitol

  • Molecular FormulaC12H20N4O7
  • Average mass332.310 Da
  • Monoisotopic mass332.133209 Da
  • ChemSpider ID61711624

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-({2,6-dihydroxy-5-[(2-oxopropyl)amino]-4-pyrimidinyl}amino)-D-ribitol [ACD/IUPAC Name]
1-Deoxy-1-({2,6-dioxo-5-[(2-oxopropyl)amino]-1,2,3,6-tetrahydro-4-pyrimidinyl}amino)-D-ribitol [ACD/IUPAC Name]
1-Desoxy-1-({2,6-dihydroxy-5-[(2-oxopropyl)amino]-4-pyrimidinyl}amino)-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-({2,6-dihydroxy-5-[(2-oxopropyl)amino]-4-pyrimidinyl}amino)-D-ribitol [French] [ACD/IUPAC Name]
1-Desoxy-1-({2,6-dioxo-5-[(2-oxopropyl)amino]-1,2,3,6-tetrahydro-4-pyrimidinyl}amino)-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-({2,6-dioxo-5-[(2-oxopropyl)amino]-1,2,3,6-tétrahydro-4-pyrimidinyl}amino)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-[[1,2,3,6-tetrahydro-2,6-dioxo-5-[(2-oxopropyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
D-Ribitol, 1-deoxy-1-[[2,6-dihydroxy-5-[(2-oxopropyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
1-Deoxy-1-({2,6-Dioxo-5-[(E)-(2-Oxopropylidene)amino]-1,2,3,6-Tetrahydropyrimidin-4-Yl}amino)-D-Ribitol
2LJ

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

Density: 1.7±0.1 g/cm3
Boiling Point: 872.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 481.7±37.1 °C
Index of Refraction: 1.728
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -5.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 111.3±3.0 dyne/cm
Molar Volume: 199.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement