ChemSpider 2D Image | amphidinolide B4 | C32H50O7

amphidinolide B4

  • Molecular FormulaC32H50O7
  • Average mass546.735 Da
  • Monoisotopic mass546.355652 Da
  • ChemSpider ID10480573
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1S,2E,6E,10S,12R,13S,14R,17S,19S,20E,24R,26S)-13,14,17-Trihydroxy-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,19S,20E,24R,26S)-13,14,17-Trihydroxy-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,19S,20E,24R,26S)-13,14,17-Trihydroxy-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]
(1S,2E,6E,10S,12R,13S,14R,17S,19S,20E,24R,26S)-13,14,17-trihydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione
9,27-Dioxabicyclo[24.1.0]heptacosa-2,6,20-triene-8,15-dione, 13,14,17-trihydroxy-7,10,12,19,20,24-hexamethyl-22-methylene-, (1S,2E,6E,10S,12R,13S,14R,17S,19S,20E,24R,26S)- [ACD/Index Name]
amphidinolide B4
amphidinolide B7

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 220.1±26.4 °C
Index of Refraction: 1.535
Molar Refractivity: 153.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1738.35
ACD/KOC (pH 5.5): 7259.20
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1738.34
ACD/KOC (pH 7.4): 7259.13
Polar Surface Area: 117 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 491.6±5.0 cm3

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