ChemSpider 2D Image | (1R,2S,6R,9S,10S,11R,15R,17S)-2,9-Dihydroxy-6,11-dimethyl-16-methylene-7-oxo-8-oxapentacyclo[13.2.1.0~1,12~.0~3,11~.0~6,10~]octadec-17-yl hexopyranoside | C26H38O10

(1R,2S,6R,9S,10S,11R,15R,17S)-2,9-Dihydroxy-6,11-dimethyl-16-methylene-7-oxo-8-oxapentacyclo[13.2.1.01,12.03,11.06,10]octadec-17-yl hexopyranoside

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID352863

  • defined stereocentres - 8 of 15 defined stereocentres

More details:

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

(1R,2S,6R,9S,10S,11R,15R,17S)-2,9-Dihydroxy-6,11-dimethyl-16-methylen-7-oxo-8-oxapentacyclo[13.2.1.01,12.03,11.06,10]octadec-17-ylhexopyranosid [German] [ACD/IUPAC Name]
(1R,2S,6R,9S,10S,11R,15R,17S)-2,9-Dihydroxy-6,11-dimethyl-16-methylene-7-oxo-8-oxapentacyclo[13.2.1.01,12.03,11.06,10]octadec-17-yl hexopyranoside [ACD/IUPAC Name]
1H-6a,9-Methanocyclohept[2,3]indeno[4,5-c]furan-3(5H)-one, 7-(hexopyranosyloxy)dodecahydro-1,6-dihydroxy-3a,11b-dimethyl-8-methylene-, (1S,3aR,6S,6aR,7S,9R,11bR,11cS)- [ACD/Index Name]
Hexopyranoside de (1R,2S,6R,9S,10S,11R,15R,17S)-2,9-dihydroxy-6,11-diméthyl-16-méthylène-7-oxo-8-oxapentacyclo[13.2.1.01,12.03,11.06,10]octadéc-17-yle [French] [ACD/IUPAC Name]
Farnesiaside

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

NCI60_038104 [DBID]
NSC707141 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 254.6±26.4 °C
Index of Refraction: 1.640
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.13
Polar Surface Area: 166 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 344.2±5.0 cm3

Click to predict properties on the Chemicalize site


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