Found 1 result

Search term: 78441923 (Found by CSID)
ChemSpider 2D Image | N-{(3S,6S,7R,10S,15R)-15-Benzyl-10-[(2S)-2-butanyl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}benzamide | C33H39NO10

N-{(3S,6S,7R,10S,15R)-15-Benzyl-10-[(2S)-2-butanyl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}benzamide

  • Molecular FormulaC33H39NO10
  • Average mass609.664 Da
  • Monoisotopic mass609.257385 Da
  • ChemSpider ID78441923

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Benzamide, N-[(3S,6S,7R,10S,15R)-3,7,13,13-tetramethyl-10-[(1S)-1-methylpropyl]-2,5,9,12,14-pentaoxo-15-(phenylmethyl)-1,4,8,11-tetraoxacyclopentadec-6-yl]- [ACD/Index Name]
N-{(3S,6S,7R,10S,15R)-15-Benzyl-10-[(2S)-2-butanyl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}benzamid [German] [ACD/IUPAC Name]
N-{(3S,6S,7R,10S,15R)-15-Benzyl-10-[(2S)-2-butanyl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}benzamide [ACD/IUPAC Name]
N-{(3S,6S,7R,10S,15R)-15-Benzyl-10-[(2S)-2-butanyl]-3,7,13,13-tétraméthyl-2,5,9,12,14-pentaoxo-1,4,8,11-tétraoxacyclopentadécan-6-yl}benzamide [French] [ACD/IUPAC 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: 865.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 477.2±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.86
ACD/KOC (pH 5.5): 1408.29
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.85
ACD/KOC (pH 7.4): 1408.27
Polar Surface Area: 151 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 488.5±5.0 cm3

Click to predict properties on the Chemicalize site


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