ChemSpider 2D Image | amphidinolide B7 | C32H54O8

amphidinolide B7

  • Molecular FormulaC32H54O8
  • Average mass566.766 Da
  • Monoisotopic mass566.381897 Da
  • ChemSpider ID23076621
  • 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

(1S,6S,7S,10S,12R,13S,14R,17S,19S,20E,24R,26S)-6,13,14,17-Tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylen-9,27-dioxabicyclo[24.1.0]heptacos-20-en-8,15-dion [German] [ACD/IUPAC Name]
(1S,6S,7S,10S,12R,13S,14R,17S,19S,20E,24R,26S)-6,13,14,17-Tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylene-9,27-dioxabicyclo[24.1.0]heptacos-20-ene-8,15-dione [ACD/IUPAC Name]
(1S,6S,7S,10S,12R,13S,14R,17S,19S,20E,24R,26S)-6,13,14,17-Tétrahydroxy-7,10,12,19,20,24-hexaméthyl-22-méthylène-9,27-dioxabicyclo[24.1.0]heptacos-20-ène-8,15-dione [French] [ACD/IUPAC Name]
(1S,6S,7S,10S,12R,13S,14R,17S,19S,20E,24R,26S)-6,13,14,17-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylidene-9,27-dioxabicyclo[24.1.0]heptacos-20-ene-8,15-dione
9,27-Dioxabicyclo[24.1.0]heptacos-20-ene-8,15-dione, 6,13,14,17-tetrahydroxy-7,10,12,19,20,24-hexamethyl-22-methylene-, (1S,6S,7S,10S,12R,13S,14R,17S,19S,20E,24R,26S)- [ACD/Index Name]
amphidinolide B7
amphidinolide B6

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

Density: 1.1±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 225.3±26.4 °C
Index of Refraction: 1.528
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 383.02
ACD/KOC (pH 5.5): 2458.54
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 383.02
ACD/KOC (pH 7.4): 2458.52
Polar Surface Area: 137 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 503.5±5.0 cm3

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