ChemSpider 2D Image | 1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-{[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]amino}-D-erythro-pentitol | C17H27N3O5

1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-{[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]amino}-D-erythro-pentitol

  • Molecular FormulaC17H27N3O5
  • Average mass353.413 Da
  • Monoisotopic mass353.195068 Da
  • ChemSpider ID35092629

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-{[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxymethyl)-2,4-didesoxy-4-{[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxyméthyl)-2,4-didésoxy-4-{[(1-éthyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[[[1-ethyl-3-(2-methylpropyl)-1H-pyrazol-5-yl]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.5±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 90.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 271.6±7.0 cm3

Click to predict properties on the Chemicalize site


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