ChemSpider 2D Image | (3S,6S,9S,12S,15S)-6-Benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone | C33H52N4O6

(3S,6S,9S,12S,15S)-6-Benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone

  • Molecular FormulaC33H52N4O6
  • Average mass600.789 Da
  • Monoisotopic mass600.388672 Da
  • ChemSpider ID553451

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,6S,9S,12S,15S)-6-Benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraazacyclopentadecan-2,5,8,11,14-penton [German] [ACD/IUPAC Name]
(3S,6S,9S,12S,15S)-6-Benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone [ACD/IUPAC Name]
(3S,6S,9S,12S,15S)-6-Benzyl-3,9,15-triisobutyl-12-isopropyl-10-méthyl-1-oxa-4,7,10,13-tétraazacyclopentadécane-2,5,8,11,14-pentone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone, 10-methyl-12-(1-methylethyl)-3,9,15-tris(2-methylpropyl)-6-(phenylmethyl)-, (3S,6S,9S,12S,15S)- [ACD/Index Name]
6-Benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraaza-cyclopentadecane-2,5,8,11,14-pentaone
N-methylsansalvamide
rel-(3R,6R,9R,12R,15R)-6-benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 859.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 473.5±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.90
ACD/KOC (pH 5.5): 800.68
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.90
ACD/KOC (pH 7.4): 800.67
Polar Surface Area: 134 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 582.1±3.0 cm3

Click to predict properties on the Chemicalize site


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