ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-{[3-(1,2-oxazinan-2-yl)propanoyl]amino}-D-threo-pentitol | C18H29N3O5

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

  • Molecular FormulaC18H29N3O5
  • Average mass367.440 Da
  • Monoisotopic mass367.210724 Da
  • ChemSpider ID35046469

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-{[3-(1,2-oxazinan-2-yl)propanoyl]amino}-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-{[3-(1,2-oxazinan-2-yl)propanoyl]amino}-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-4-O-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-3-{[3-(1,2-oxazinan-2-yl)propanoyl]amino}-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-[[1-oxo-3-(tetrahydro-2H-1,2-oxazin-2-yl)propyl]amino]- [ACD/Index Name]
1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethylisoxazol-4-yl)methyl]-3-{[3-(1,2-oxazinan-2-yl)propanoyl]amino}-D-threo-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: 1.542
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 58.62
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.08
ACD/KOC (pH 7.4): 58.71
Polar Surface Area: 86 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 302.7±5.0 cm3

Click to predict properties on the Chemicalize site


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