ChemSpider 2D Image | (1R,2S,5S,10S,11R,12Z,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one (non-preferred name) | C29H44O8

(1R,2S,5S,10S,11R,12Z,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one (non-preferred name)

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID57422731

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,2S,5S,10S,11R,12Z,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-on (non-preferred name) [German] [ACD/IUPAC Name]
(1R,2S,5S,10S,11R,12Z,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one (non-preferred name) [ACD/IUPAC Name]
(1R,2S,5S,10S,11R,12Z,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-triméthoxy-2,14,16-triméthyl-5-phényl-4,19-dioxabicyclo[13.3.1]nonadéc-12-én-3-one (non-preferred name) [French] [ACD/IUPAC Name]
(1R,2S,5S,10S,11R,12Z,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
(1R,2S,5S,10S,11R,14S,15S,16S,17S,18R,E)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
122547-72-2 [RN]
Soraphen A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 213.8±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1028.23
ACD/KOC (pH 5.5): 4984.86
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1028.10
ACD/KOC (pH 7.4): 4984.25
Polar Surface Area: 104 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 448.0±5.0 cm3

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