ChemSpider 2D Image | 1-{(12S,13S,14S)-13,14-Dihydroxy-12-methoxy-6-[(2S)-2-pyrrolidinylcarbonyl]-1-oxa-6,10-diazacyclopentadecan-10-yl}ethanone | C20H37N3O6

1-{(12S,13S,14S)-13,14-Dihydroxy-12-methoxy-6-[(2S)-2-pyrrolidinylcarbonyl]-1-oxa-6,10-diazacyclopentadecan-10-yl}ethanone

  • Molecular FormulaC20H37N3O6
  • Average mass415.524 Da
  • Monoisotopic mass415.268250 Da
  • ChemSpider ID80827928

  • defined stereocentres - 4 of 4 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-[(2S)-2-pyrrolidinylcarbonyl]-1-oxa-6,10-diazacyclopentadecan-10-yl}ethanon [German] [ACD/IUPAC Name]
1-{(12S,13S,14S)-13,14-Dihydroxy-12-methoxy-6-[(2S)-2-pyrrolidinylcarbonyl]-1-oxa-6,10-diazacyclopentadecan-10-yl}ethanone [ACD/IUPAC Name]
1-{(12S,13S,14S)-13,14-Dihydroxy-12-méthoxy-6-[(2S)-2-pyrrolidinylcarbonyl]-1-oxa-6,10-diazacyclopentadécan-10-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(12S,13S,14S)-13,14-dihydroxy-12-methoxy-6-[(2S)-2-pyrrolidinylcarbonyl]-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: 1.2±0.1 g/cm3
Boiling Point: 648.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 343.3±5.0 cm3

Click to predict properties on the Chemicalize site


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