ChemSpider 2D Image | spirolide H | C40H59NO6

spirolide H

  • Molecular FormulaC40H59NO6
  • Average mass649.900 Da
  • Monoisotopic mass649.434265 Da
  • ChemSpider ID24621703

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

2(5H)-Furanone, 5-[(10Z)-2,4,5,6,7,9a,12,13,14,15,16,18,19,20,21,22,23,24,25,26-eicosahydro-12,18-dihydroxy-3,4,9,11,15,18-hexamethyl-23-methylene-3H-14,17:17,21-diepoxybenzo[2,3]cycloeicos[1,2-b]azep in-8-yl]-3-methyl- [ACD/Index Name]
5-[(7Z)-6,29-Dihydroxy-3,7,10,16,17,29-hexamethyl-24-methylen-30,31-dioxa-19-azapentacyclo[24.3.1.11,4.09,14.014,20]hentriaconta-7,10,19-trien-11-yl]-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
5-[(7Z)-6,29-Dihydroxy-3,7,10,16,17,29-hexamethyl-24-methylene-30,31-dioxa-19-azapentacyclo[24.3.1.11,4.09,14.014,20]hentriaconta-7,10,19-trien-11-yl]-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
5-[(7Z)-6,29-Dihydroxy-3,7,10,16,17,29-hexaméthyl-24-méthylène-30,31-dioxa-19-azapentacyclo[24.3.1.11,4.09,14.014,20]héntriaconta-7,10,19-trién-11-yl]-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
spirolide H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 787.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 429.9±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 181.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 7966.62
ACD/KOC (pH 5.5): 6569.42
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 158748.92
ACD/KOC (pH 7.4): 130907.16
Polar Surface Area: 98 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 529.2±7.0 cm3

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