ChemSpider 2D Image | (3S,6S,9R,12S,19S)-3,9-Diisobutyl-12-isopropyl-6-methyl-19-[(2S)-2-octanyl]-1-oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone | C33H59N5O7

(3S,6S,9R,12S,19S)-3,9-Diisobutyl-12-isopropyl-6-methyl-19-[(2S)-2-octanyl]-1-oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone

  • Molecular FormulaC33H59N5O7
  • Average mass637.851 Da
  • Monoisotopic mass637.441467 Da
  • ChemSpider ID58197181

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,6S,9R,12S,19S)-3,9-Diisobutyl-12-isopropyl-6-methyl-19-[(2S)-2-octanyl]-1-oxa-4,7,10,13,16-pentaazacyclononadecan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
(3S,6S,9R,12S,19S)-3,9-Diisobutyl-12-isopropyl-6-methyl-19-[(2S)-2-octanyl]-1-oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
(3S,6S,9R,12S,19S)-3,9-Diisobutyl-12-isopropyl-6-méthyl-19-[(2S)-2-octanyl]-1-oxa-4,7,10,13,16-pentaazacyclononadécane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone, 6-methyl-12-(1-methylethyl)-19-[(1S)-1-methylheptyl]-3,9-bis(2-methylpropyl)-, (3S,6S,9R,12S,19S)- [ACD/Index Name]
Oryzamide A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 942.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.2±3.0 kJ/mol
Flash Point: 523.5±34.3 °C
Index of Refraction: 1.453
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.17
ACD/KOC (pH 5.5): 309.23
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.17
ACD/KOC (pH 7.4): 309.23
Polar Surface Area: 172 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 635.9±3.0 cm3

Click to predict properties on the Chemicalize site


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