ChemSpider 2D Image | halipeptin C | C29H50N4O6S

halipeptin C

  • Molecular FormulaC29H50N4O6S
  • Average mass582.795 Da
  • Monoisotopic mass582.345093 Da
  • ChemSpider ID8184030

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,4S,7S,10S,14S)-10-[(2R,5S)-5-Hydroxy-2-octanyl]-4-isopropyl-1,3,7,11,11,14-hexamethyl-9-oxa-16-thia-3,6,13,18-tetraazabicyclo[13.2.1]octadec-15(18)-en-2,5,8,12-tetron [German] [ACD/IUPAC Name]
(1R,4S,7S,10S,14S)-10-[(2R,5S)-5-Hydroxy-2-octanyl]-4-isopropyl-1,3,7,11,11,14-hexamethyl-9-oxa-16-thia-3,6,13,18-tetraazabicyclo[13.2.1]octadec-15(18)-ene-2,5,8,12-tetrone [ACD/IUPAC Name]
(1R,4S,7S,10S,14S)-10-[(2R,5S)-5-Hydroxy-2-octanyl]-4-isopropyl-1,3,7,11,11,14-hexaméthyl-9-oxa-16-thia-3,6,13,18-tétraazabicyclo[13.2.1]octadéc-15(18)-ène-2,5,8,12-tétrone [French] [ACD/IUPAC Name]
9-Oxa-16-thia-3,6,13,18-tetraazabicyclo[13.2.1]octadec-15(18)-ene-2,5,8,12-tetrone, 10-[(1R,4S)-4-hydroxy-1-methylheptyl]-1,3,7,11,11,14-hexamethyl-4-(1-methylethyl)-, (1R,4S,7S,10S,14S)- [ACD/Index Name]
halipeptin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 801.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.7±6.0 kJ/mol
Flash Point: 438.5±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 156.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.14
ACD/KOC (pH 5.5): 182.59
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.14
ACD/KOC (pH 7.4): 182.74
Polar Surface Area: 163 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 476.0±7.0 cm3

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