ChemSpider 2D Image | leptazoline C | C13H15NO5

leptazoline C

  • Molecular FormulaC13H15NO5
  • Average mass265.262 Da
  • Monoisotopic mass265.095032 Da
  • ChemSpider ID81361128

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-3-Hydroxy-3-[(4S,5S)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanoic acid [ACD/IUPAC Name]
(3R)-3-Hydroxy-3-[(4S,5S)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propansäure [German] [ACD/IUPAC Name]
4-Oxazolepropanoic acid, 4,5-dihydro-β-hydroxy-2-(2-hydroxyphenyl)-5-methyl-, (βR,4S,5S)- [ACD/Index Name]
Acide (3R)-3-hydroxy-3-[(4S,5S)-2-(2-hydroxyphényl)-5-méthyl-4,5-dihydro-1,3-oxazol-4-yl]propanoïque [French] [ACD/IUPAC Name]
leptazoline C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.8±25.9 °C
Index of Refraction: 1.623
Molar Refractivity: 65.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 184.4±7.0 cm3

Click to predict properties on the Chemicalize site


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