ChemSpider 2D Image | 1,5-Anhydro-2-O-(carboxymethyl)-3,4-dideoxy-3-{[3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]amino}-D-threo-pentitol | C14H19N3O7

1,5-Anhydro-2-O-(carboxymethyl)-3,4-dideoxy-3-{[3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]amino}-D-threo-pentitol

  • Molecular FormulaC14H19N3O7
  • Average mass341.317 Da
  • Monoisotopic mass341.122314 Da
  • ChemSpider ID35069327

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2-O-(carboxymethyl)-3,4-dideoxy-3-{[3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]amino}-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2-O-(carboxymethyl)-3,4-didesoxy-3-{[3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]amino}-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2-O-(carboxyméthyl)-3,4-didésoxy-3-{[3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]amino}-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2-O-(carboxymethyl)-3,4-dideoxy-3-[[3-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1-oxopropyl]amino]- [ACD/Index Name]
1,5-anhydro-2-O-(carboxymethyl)-3,4-dideoxy-3-{[3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoyl]amino}-D-threo-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: 1.587
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 236.0±5.0 cm3

Click to predict properties on the Chemicalize site


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