ChemSpider 2D Image | amphidinolide H | C32H50O8

amphidinolide H

  • Molecular FormulaC32H50O8
  • Average mass562.735 Da
  • Monoisotopic mass562.350586 Da
  • ChemSpider ID8944573

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1S,2E,6E,10R,12R,13S,14R,17S,19S,20E,24R,26S)-13,14,17-Trihydroxy-10-(hydroxymethyl)-7,12,19,20,24-pentamethyl-22-methylen-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-trien-8,15-dion [German] [ACD/IUPAC Name]
(1S,2E,6E,10R,12R,13S,14R,17S,19S,20E,24R,26S)-13,14,17-Trihydroxy-10-(hydroxymethyl)-7,12,19,20,24-pentamethyl-22-methylene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione [ACD/IUPAC Name]
(1S,2E,6E,10R,12R,13S,14R,17S,19S,20E,24R,26S)-13,14,17-Trihydroxy-10-(hydroxyméthyl)-7,12,19,20,24-pentaméthyl-22-méthylène-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triène-8,15-dione [French] [ACD/IUPAC Name]
(1S,2E,6E,10R,12R,13S,14R,17S,19S,20E,24R,26S)-13,14,17-trihydroxy-10-(hydroxymethyl)-7,12,19,20,24-pentamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione (non-preferred name)
amphidinolide 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: 746.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.1±6.0 kJ/mol
Flash Point: 232.3±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.46
ACD/KOC (pH 5.5): 1259.53
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.46
ACD/KOC (pH 7.4): 1259.52
Polar Surface Area: 137 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 488.8±5.0 cm3

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