Found 1 result

Search term: 78440093 (Found by CSID)
ChemSpider 2D Image | (1R,2Z,4R,4'R,8R,10S)-4'-Hydroxy-8-methyl-3',4'-dihydro-5'H,6H-spiro[7,11-dioxabicyclo[8.1.0]undec-2-ene-4,2'-furan]-5',6-dione | C13H16O6

(1R,2Z,4R,4'R,8R,10S)-4'-Hydroxy-8-methyl-3',4'-dihydro-5'H,6H-spiro[7,11-dioxabicyclo[8.1.0]undec-2-ene-4,2'-furan]-5',6-dione

  • Molecular FormulaC13H16O6
  • Average mass268.263 Da
  • Monoisotopic mass268.094696 Da
  • ChemSpider ID78440093

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2Z,4R,4'R,8R,10S)-4'-Hydroxy-8-methyl-3',4'-dihydro-5'H,6H-spiro[7,11-dioxabicyclo[8.1.0]undec-2-ene-4,2'-furan]-5',6-dione [ACD/IUPAC Name]
Spiro[4,11-dioxabicyclo[8.1.0]undec-8-ene-7,2'(5'H)-furan]-5,5'-dione, 3',4'-dihydro-4'-hydroxy-3-methyl-, (1S,3R,4'R,7R,8Z,10R)- [ACD/Index Name]
Botryolide C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.9±6.0 kJ/mol
Flash Point: 207.7±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 62.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.48
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.48
Polar Surface Area: 85 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 193.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement