ChemSpider 2D Image | gymnodimine E | C31H43NO6

gymnodimine E

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID70999820

More details:

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

2(5H)-Furanone, 5-(2,3,4,5,6,8a,9,10,11,12,13,14,15,16,17,18,19,20,21,22-eicosahydro-10,20-dihydroxy-8-methyl-19-methylene-11,14:15,18-diepoxybenzo[2,3]cycloheptadeca[1,2-b]pyridin-7-yl)-3-methyl- [ACD/Index Name]
5-(6,21-Dihydroxy-9-methyl-22-methylen-26,27-dioxa-17-azapentacyclo[21.2.1.12,5.08,13.013,18]heptacosa-9,17-dien-10-yl)-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
5-(6,21-Dihydroxy-9-methyl-22-methylene-26,27-dioxa-17-azapentacyclo[21.2.1.12,5.08,13.013,18]heptacosa-9,17-dien-10-yl)-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
5-(6,21-Dihydroxy-9-méthyl-22-méthylène-26,27-dioxa-17-azapentacyclo[21.2.1.12,5.08,13.013,18]heptacosa-9,17-dién-10-yl)-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
gymnodimine E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 400.6±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 9.46
ACD/KOC (pH 5.5): 55.71
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 210.57
ACD/KOC (pH 7.4): 1239.60
Polar Surface Area: 98 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 378.6±7.0 cm3

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