ChemSpider 2D Image | 1-{(12S,13S,14S)-13,14-Dihydroxy-12-methoxy-6-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-1-oxa-6,10-diazacyclopentadecan-10-yl}ethanone | C20H33N3O7

1-{(12S,13S,14S)-13,14-Dihydroxy-12-methoxy-6-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-1-oxa-6,10-diazacyclopentadecan-10-yl}ethanone

  • Molecular FormulaC20H33N3O7
  • Average mass427.492 Da
  • Monoisotopic mass427.231842 Da
  • ChemSpider ID80827898

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{(12S,13S,14S)-13,14-Dihydroxy-12-methoxy-6-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-1-oxa-6,10-diazacyclopentadecan-10-yl}ethanon [German] [ACD/IUPAC Name]
1-{(12S,13S,14S)-13,14-Dihydroxy-12-methoxy-6-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-1-oxa-6,10-diazacyclopentadecan-10-yl}ethanone [ACD/IUPAC Name]
1-{(12S,13S,14S)-13,14-Dihydroxy-12-méthoxy-6-[(3-méthyl-1,2-oxazol-5-yl)carbonyl]-1-oxa-6,10-diazacyclopentadécan-10-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(12S,13S,14S)-13,14-dihydroxy-12-methoxy-6-[(3-methyl-5-isoxazolyl)carbonyl]-1-oxa-6,10-diazacyclopentadec-10-yl]- [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: 671.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.8±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.85
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.85
Polar Surface Area: 126 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 339.1±5.0 cm3

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