ChemSpider 2D Image | marinisporolide B | C38H60O11

marinisporolide B

  • Molecular FormulaC38H60O11
  • Average mass692.876 Da
  • Monoisotopic mass692.413574 Da
  • ChemSpider ID27023926

  • 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

(1R,3E,5E,7E,9E,11E,15S,16S,17S,19S,21R,23R,25E,27R,29R,31S,33S)-17,19,21,23,27,29,31,33-Octahydroxy-15-isopropyl-12,16-dimethyl-14,35-dioxabicyclo[29.3.1]pentatriaconta-3,5,7,9,11,25-hexaen-13-on [German] [ACD/IUPAC Name]
(1R,3E,5E,7E,9E,11E,15S,16S,17S,19S,21R,23R,25E,27R,29R,31S,33S)-17,19,21,23,27,29,31,33-Octahydroxy-15-isopropyl-12,16-dimethyl-14,35-dioxabicyclo[29.3.1]pentatriaconta-3,5,7,9,11,25-hexaen-13-one [ACD/IUPAC Name]
(1R,3E,5E,7E,9E,11E,15S,16S,17S,19S,21R,23R,25E,27R,29R,31S,33S)-17,19,21,23,27,29,31,33-Octahydroxy-15-isopropyl-12,16-diméthyl-14,35-dioxabicyclo[29.3.1]pentatriaconta-3,5,7,9,11,25-hexaén-13-one [French] [ACD/IUPAC Name]
14,35-Dioxabicyclo[29.3.1]pentatriaconta-3,5,7,9,11,25-hexaen-13-one, 17,19,21,23,27,29,31,33-octahydroxy-12,16-dimethyl-15-(1-methylethyl)-, (1R,3E,5E,7E,9E,11E,15S,16S,17S,19S,21R,23R,25E,27R,29R,31 S,33S)- [ACD/Index Name]
marinisporolide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 933.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.1±6.0 kJ/mol
Flash Point: 281.6±27.8 °C
Index of Refraction: 1.535
Molar Refractivity: 187.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.68
ACD/KOC (pH 5.5): 105.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 105.00
Polar Surface Area: 197 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 601.0±3.0 cm3

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