ChemSpider 2D Image | unnarmicin A | C36H50N4O6

unnarmicin A

  • Molecular FormulaC36H50N4O6
  • Average mass634.805 Da
  • Monoisotopic mass634.373047 Da
  • ChemSpider ID27023209

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,6S,9R,12S,16R)-3,9-Dibenzyl-6,12-diisobutyl-16-propyl-1-oxa-4,7,10,13-tetraazacyclohexadecan-2,5,8,11,14-penton [German] [ACD/IUPAC Name]
(3S,6S,9R,12S,16R)-3,9-Dibenzyl-6,12-diisobutyl-16-propyl-1-oxa-4,7,10,13-tetraazacyclohexadecane-2,5,8,11,14-pentone [ACD/IUPAC Name]
(3S,6S,9R,12S,16R)-3,9-Dibenzyl-6,12-diisobutyl-16-propyl-1-oxa-4,7,10,13-tétraazacyclohexadécane-2,5,8,11,14-pentone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10,13-tetraazacyclohexadecane-2,5,8,11,14-pentone, 6,12-bis(2-methylpropyl)-3,9-bis(phenylmethyl)-16-propyl-, (3S,6S,9R,12S,16R)- [ACD/Index Name]
unnarmicin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 936.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 520.3±34.3 °C
Index of Refraction: 1.504
Molar Refractivity: 175.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.36
ACD/KOC (pH 5.5): 1484.88
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.36
ACD/KOC (pH 7.4): 1484.87
Polar Surface Area: 143 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 594.1±3.0 cm3

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