ChemSpider 2D Image | amphidinolide B | C32H50O8

amphidinolide B

  • Molecular FormulaC32H50O8
  • Average mass562.735 Da
  • Monoisotopic mass562.350586 Da
  • ChemSpider ID10475215
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:



Featured data source



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

(1S,2E,6E,10S,12R,13S,14R,17S,19R,20E,24R,26S)-13,14,17,19-Tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylen-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-trien-8,15-dion [German] [ACD/IUPAC Name]
(1S,2E,6E,10S,12R,13S,14R,17S,19R,20E,24R,26S)-13,14,17,19-Tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione [ACD/IUPAC Name]
(1S,2E,6E,10S,12R,13S,14R,17S,19R,20E,24R,26S)-13,14,17,19-Tétrahydroxy-7,10,12,19,20,24-hexaméthyl-22-méthylène-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triène-8,15-dione [French] [ACD/IUPAC Name]
amphidinolide B
(1S,3R,6E,8R,10S,13R,14S,15R,17S,20E,24E,26S)-8,10,13,14-tetrahydroxy-3,7,8,15,17,20-hexamethyl-5-methylene-18,27-dioxabicyclo[24.1.0]heptacosa-6,20,24-triene-12,19-quinone
amphidinolide B1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 740.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 230.2±26.4 °C
Index of Refraction: 1.546
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 294.91
ACD/KOC (pH 5.5): 2038.96
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 294.91
ACD/KOC (pH 7.4): 2038.94
Polar Surface Area: 137 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 488.6±5.0 cm3

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