ChemSpider 2D Image | leptazoline D | C16H22N2O7

leptazoline D

  • Molecular FormulaC16H22N2O7
  • Average mass354.355 Da
  • Monoisotopic mass354.142700 Da
  • ChemSpider ID81361129

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S)-N-(1,3-Dihydroxy-2-propanyl)-2,3-dihydroxy-3-[(4S,5S)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanamid [German] [ACD/IUPAC Name]
(2S,3S)-N-(1,3-Dihydroxy-2-propanyl)-2,3-dihydroxy-3-[(4S,5S)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanamide [ACD/IUPAC Name]
(2S,3S)-N-(1,3-Dihydroxy-2-propanyl)-2,3-dihydroxy-3-[(4S,5S)-2-(2-hydroxyphényl)-5-méthyl-4,5-dihydro-1,3-oxazol-4-yl]propanamide [French] [ACD/IUPAC Name]
4-Oxazolepropanamide, 4,5-dihydro-α,β-dihydroxy-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-2-(2-hydroxyphenyl)-5-methyl-, (αS,βS,4S,5S)- [ACD/Index Name]
leptazoline D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 83.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.23
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.43
Polar Surface Area: 152 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 231.9±7.0 cm3

Click to predict properties on the Chemicalize site


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