ChemSpider 2D Image | 1,5-Anhydro-2,4-dideoxy-3-O-(3-fluorophenyl)-4-{[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]amino}-D-erythro-pentitol | C17H18FN3O5

1,5-Anhydro-2,4-dideoxy-3-O-(3-fluorophenyl)-4-{[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]amino}-D-erythro-pentitol

  • Molecular FormulaC17H18FN3O5
  • Average mass363.340 Da
  • Monoisotopic mass363.123047 Da
  • ChemSpider ID35063735

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,4-dideoxy-3-O-(3-fluorophenyl)-4-{[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-3-O-(3-fluorophényl)-4-{[(1-méthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)carbonyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-3-O-(3-fluorphenyl)-4-{[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-2,4-dideoxy-3-O-(3-fluorophenyl)-4-[[(1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)carbonyl]amino]- [ACD/Index Name]
1,5-anhydro-2,4-dideoxy-3-O-(3-fluorophenyl)-4-{[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]amino}-D-erythro-pentitol

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.70
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.11
Polar Surface Area: 97 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 256.5±5.0 cm3

Click to predict properties on the Chemicalize site


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