ChemSpider 2D Image | 1,5-Anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[3-(1,2-oxazolidin-2-yl)propanoyl]amino}-D-erythro-pentitol | C17H27N3O5

1,5-Anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[3-(1,2-oxazolidin-2-yl)propanoyl]amino}-D-erythro-pentitol

  • Molecular FormulaC17H27N3O5
  • Average mass353.413 Da
  • Monoisotopic mass353.195068 Da
  • ChemSpider ID35082130

  • 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[3-(1,2-oxazolidin-2-yl)propanoyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[3-(1,2-oxazolidin-2-yl)propanoyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-3-O-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-4-{[3-(1,2-oxazolidin-2-yl)propanoyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-[[3-(2-isoxazolidinyl)-1-oxopropyl]amino]- [ACD/Index Name]
1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethylisoxazol-4-yl)methyl]-4-[(3-isoxazolidin-2-ylpropanoyl)amino]-D-erythro-pentitol

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 38.46
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.51
Polar Surface Area: 86 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 286.6±5.0 cm3

Click to predict properties on the Chemicalize site


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