ChemSpider 2D Image | N-[(6R,9S,12R,15S,16R)-9,12-Bis(hydroxymethyl)-3,6-diisopropyl-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]dodecanamide | C32H57N5O9

N-[(6R,9S,12R,15S,16R)-9,12-Bis(hydroxymethyl)-3,6-diisopropyl-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]dodecanamide

  • Molecular FormulaC32H57N5O9
  • Average mass655.823 Da
  • Monoisotopic mass655.415649 Da
  • ChemSpider ID78440652

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

Dodecanamide, N-[(6R,9S,12R,15S,16R)-9,12-bis(hydroxymethyl)-16-methyl-3,6-bis(1-methylethyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadec-15-yl]- [ACD/Index Name]
N-[(6R,9S,12R,15S,16R)-9,12-Bis(hydroxymethyl)-3,6-diisopropyl-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]dodecanamid [German] [ACD/IUPAC Name]
N-[(6R,9S,12R,15S,16R)-9,12-Bis(hydroxymethyl)-3,6-diisopropyl-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]dodecanamide [ACD/IUPAC Name]
N-[(6R,9S,12R,15S,16R)-9,12-Bis(hydroxyméthyl)-3,6-diisopropyl-16-méthyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tétraazacyclohexadécan-15-yl]dodécanamide [French] [ACD/IUPAC Name]
Stephensiolide G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1019.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.6±6.0 kJ/mol
Flash Point: 570.3±34.3 °C
Index of Refraction: 1.530
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.74
ACD/KOC (pH 5.5): 238.66
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.74
ACD/KOC (pH 7.4): 238.65
Polar Surface Area: 212 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 555.7±5.0 cm3

Click to predict properties on the Chemicalize site


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