ChemSpider 2D Image | Halipeptin D | C31H54N4O6S

Halipeptin D

  • Molecular FormulaC31H54N4O6S
  • Average mass610.849 Da
  • Monoisotopic mass610.376000 Da
  • ChemSpider ID20566154

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,4S,7S,10S,14S)-4-[(2S)-2-Butanyl]-10-[(2R,5S)-5-methoxy-2-octanyl]-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)-4-[(2S)-2-Butanyl]-10-[(2R,5S)-5-methoxy-2-octanyl]-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)-4-[(2S)-2-Butanyl]-10-[(2R,5S)-5-méthoxy-2-octanyl]-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-methoxy-1-methylheptyl]-1,3,7,11,11,14-hexamethyl-4-[(1S)-1-methylpropyl]-, (1R,4S,7S,10S,14S)- [ACD/Index Name]
9-oxa-16-thia-3,6,13,18-tetraazabicyclo[13.2.1]octadeca-5,12,15(18)-triene-2,8-dione, 5,12-dihydroxy-10-[(1R,4S)-4-methoxy-1-methylheptyl]-1,3,7,11,11,14-hexamethyl-4-[(1S)-1-methylpropyl]-, (1R,4S,5E,7S,10S,12E,14S)-
Halipeptin D

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

Density: 1.2±0.0 g/cm3
Boiling Point: 787.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 114.5±0.0 kJ/mol
Flash Point: 429.9±0.0 °C
Index of Refraction: 1.558
Molar Refractivity: 166.5±0.0 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.49
ACD/KOC (pH 5.5): 1061.33
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.59
ACD/KOC (pH 7.4): 1062.24
Polar Surface Area: 152 Å2
Polarizability: 66.0±0.0 10-24cm3
Surface Tension: 39.3±0.0 dyne/cm
Molar Volume: 516.4±0.0 cm3

Click to predict properties on the Chemicalize site


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