ChemSpider 2D Image | (-)-sanguinolignan D | C22H18O9

(-)-sanguinolignan D

  • Molecular FormulaC22H18O9
  • Average mass426.373 Da
  • Monoisotopic mass426.095093 Da
  • ChemSpider ID26375986
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(-)-sanguinolignan D
(S)-1,3-Benzodioxol-5-yl[(3S,4R)-4-(1,3-benzodioxol-5-ylcarbonyl)-2-oxotetrahydro-3-furanyl]methyl acetate [ACD/IUPAC Name]
(S)-1,3-Benzodioxol-5-yl[(3S,4R)-4-(1,3-benzodioxol-5-ylcarbonyl)-2-oxotetrahydro-3-furanyl]methyl-acetat [German] [ACD/IUPAC Name]
2(3H)-Furanone, 3-[(S)-(acetyloxy)-1,3-benzodioxol-5-ylmethyl]-4-(1,3-benzodioxol-5-ylcarbonyl)dihydro-, (3S,4R)- [ACD/Index Name]
Acétate de (S)-1,3-benzodioxol-5-yl[(3S,4R)-4-(1,3-benzodioxol-5-ylcarbonyl)-2-oxotétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
(-)-(8R,7'S,8'S)-7'-acetoxy-3,3',4,4'-bis(methylenedioxy)-7-oxolignano-9',9-lactone
(S)-[(3S,4R)-4-(2H-1,3-benzodioxole-5-carbonyl)-2-oxooxolan-3-yl](2H-1,3-benzodioxol-5-yl)methyl acetate
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70488

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 640.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 279.4±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.32
ACD/KOC (pH 5.5): 256.86
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.32
ACD/KOC (pH 7.4): 256.86
Polar Surface Area: 107 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

Click to predict properties on the Chemicalize site






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