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ChemSpider 2D Image | phormidolide | C59H97BrO12

phormidolide

  • Molecular FormulaC59H97BrO12
  • Average mass1078.298 Da
  • Monoisotopic mass1076.616333 Da
  • ChemSpider ID10479158

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 11 defined stereocentres

More details:

Date of deprecation: 10:10, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(1E,5R,7R,8R,9S,11R,13S,15E,17R)-1-Brom-7,9,11,13,17-pentahydroxy-17-[(1R,4E,6E,12E,15S,17S)-9-hydroxy-5,13,17-trimethyl-11-methylen-3-oxo-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-2-metho xy-8,12,12,15-tetramethyl-3-methylen-1,15-heptadecadien-5-yl-hexadecanoat [German] [ACD/IUPAC Name]
(1E,5R,7R,8R,9S,11R,13S,15E,17R)-1-Bromo-7,9,11,13,17-pentahydroxy-17-[(1R,4E,6E,12E,15S,17S)-9-hydroxy-5,13,17-trimethyl-11-methylene-3-oxo-2,16-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-2-met hoxy-8,12,12,15-tetramethyl-3-methylene-1,15-heptadecadien-5-yl hexadecanoate [ACD/IUPAC Name]
Hexadécanoate de (1E,5R,7R,8R,9S,11R,13S,15E,17R)-1-bromo-7,9,11,13,17-pentahydroxy-17-[(1R,4E,6E,12E,15S,17S)-9-hydroxy-5,13,17-triméthyl-11-méthylène-3-oxo-2,16-dioxabicyclo[13.2.1]octadéca-4,6,12-t rién-17-yl]-2-méthoxy-8,12,12,15-tétraméthyl-3-méthylène-1,15-heptadécadién-5-yle [French] [ACD/IUPAC Name]
Hexadecanoic acid, (1R,3R,4R,5S,7R,9S,11E,13R)-1-[(3E)-4-bromo-3-methoxy-2-methylene-3-buten-1-yl]-3,5,7,9,13-pentahydroxy-13-[(1R,4E,6E,12E,15S,17S)-9-hydroxy-5,13,17-trimethyl-11-methylene-3-oxo-2,1 6-dioxabicyclo[13.2.1]octadeca-4,6,12-trien-17-yl]-4,8,8,11-tetramethyl-11-tridecen-1-yl ester [ACD/Index Name]
phormidolide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1038.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.9±6.0 kJ/mol
Flash Point: 581.9±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 292.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 4
ACD/LogP: 11.94
ACD/LogD (pH 5.5): 11.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 192 Å2
Polarizability: 116.1±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 922.3±5.0 cm3

Click to predict properties on the Chemicalize site


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