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

1,5-Anhydro-2,4-dideoxy-4-{[(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]amino}-3-O-(3-fluorophenyl)-D-erythro-pentitol

  • Molecular FormulaC17H18FN3O5
  • Average mass363.340 Da
  • Monoisotopic mass363.123047 Da
  • ChemSpider ID35078862

  • 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-4-{[(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]amino}-3-O-(3-fluorophenyl)-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-4-{[(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]amino}-3-O-(3-fluorphenyl)-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-4-{[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acétyl]amino}-3-O-(3-fluorophényl)-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-2,4-dideoxy-4-[[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)acetyl]amino]-3-O-(3-fluorophenyl)- [ACD/Index Name]
2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-[cis-4-(3-fluorophenoxy)tetrahydro-2H-pyran-3-yl]acetamide

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: 1.607
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.21
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.52
Polar Surface Area: 97 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 256.7±5.0 cm3

Click to predict properties on the Chemicalize site


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