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Search term: 78440653 (Found by CSID)
ChemSpider 2D Image | N-[(6R,9S,12R,15S,16R)-6-[(2R)-2-Butanyl]-3-[(2S)-2-butanyl]-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]dodecanamide | C34H61N5O9

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

  • Molecular FormulaC34H61N5O9
  • Average mass683.876 Da
  • Monoisotopic mass683.446899 Da
  • ChemSpider ID78440653

  • defined stereocentres - 7 of 8 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-6-[(1R)-1-methylpropyl]-3-[(1S)-1-methylpropyl]-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadec-15-yl]- [ACD/Index Name]
N-[(6R,9S,12R,15S,16R)-6-[(2R)-2-Butanyl]-3-[(2S)-2-butanyl]-9,12-bis(hydroxymethyl)-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)-6-[(2R)-2-Butanyl]-3-[(2S)-2-butanyl]-9,12-bis(hydroxymethyl)-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)-6-[(2R)-2-Butanyl]-3-[(2S)-2-butanyl]-9,12-bis(hydroxyméthyl)-16-méthyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tétraazacyclohexadécan-15-yl]dodécanamide [French] [ACD/IUPAC Name]
Stephensiolide K

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1024.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.4±6.0 kJ/mol
Flash Point: 573.1±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 181.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.11
ACD/KOC (pH 5.5): 589.26
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.11
ACD/KOC (pH 7.4): 589.25
Polar Surface Area: 212 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 587.8±5.0 cm3

Click to predict properties on the Chemicalize site


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