ChemSpider 2D Image | (3E,5E,7E,9E,11E,13E,16R,18S,20S,22S,26R,28S,30S,32S,35S,36S)-16,18,20,22,24,26,28,30,32-Nonahydroxy-36-isopropyl-35-methyloxacyclohexatriaconta-3,5,7,9,11,13-hexaen-2-one | C39H64O11

(3E,5E,7E,9E,11E,13E,16R,18S,20S,22S,26R,28S,30S,32S,35S,36S)-16,18,20,22,24,26,28,30,32-Nonahydroxy-36-isopropyl-35-methyloxacyclohexatriaconta-3,5,7,9,11,13-hexaen-2-one

  • Molecular FormulaC39H64O11
  • Average mass708.919 Da
  • Monoisotopic mass708.444885 Da
  • ChemSpider ID28529403

  • 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

(3E,5E,7E,9E,11E,13E,16R,18S,20S,22S,26R,28S,30S,32S,35S,36S)-16,18,20,22,24,26,28,30,32-Nonahydroxy-36-isopropyl-35-methyloxacyclohexatriaconta-3,5,7,9,11,13-hexaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7E,9E,11E,13E,16R,18S,20S,22S,26R,28S,30S,32S,35S,36S)-16,18,20,22,24,26,28,30,32-Nonahydroxy-36-isopropyl-35-methyloxacyclohexatriaconta-3,5,7,9,11,13-hexaen-2-one [ACD/IUPAC Name]
(3E,5E,7E,9E,11E,13E,16R,18S,20S,22S,26R,28S,30S,32S,35S,36S)-16,18,20,22,24,26,28,30,32-Nonahydroxy-36-isopropyl-35-méthyloxacyclohexatriaconta-3,5,7,9,11,13-hexaén-2-one [French] [ACD/IUPAC Name]
Oxacyclohexatriaconta-3,5,7,9,11,13-hexaen-2-one, 16,18,20,22,24,26,28,30,32-nonahydroxy-35-methyl-36-(1-methylethyl)-, (3E,5E,7E,9E,11E,13E,16R,18S,20S,22S,26R,28S,30S,32S,35S,36S)- [ACD/Index Name]
bahamaolide A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 949.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.7±6.0 kJ/mol
Flash Point: 283.0±27.8 °C
Index of Refraction: 1.526
Molar Refractivity: 193.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: -0.13
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 98.07
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 98.07
Polar Surface Area: 208 Å2
Polarizability: 76.8±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 630.9±3.0 cm3

Click to predict properties on the Chemicalize site


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