ChemSpider 2D Image | 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-Carboxylato-2,6,11-trimethyl-2,4,6,8,10,12,14-hexadecaheptaenoyl]-beta-D-glucopyranose | C26H33O9

1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-Carboxylato-2,6,11-trimethyl-2,4,6,8,10,12,14-hexadecaheptaenoyl]-β-D-glucopyranose

  • Molecular FormulaC26H33O9
  • Average mass489.535 Da
  • Monoisotopic mass489.213013 Da
  • ChemSpider ID26332860

  • Charge - Charge

    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

1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-Carboxylato-2,6,11-trimethyl-2,4,6,8,10,12,14-hexadecaheptaenoyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-Carboxylato-2,6,11-trimethyl-2,4,6,8,10,12,14-hexadecaheptaenoyl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-Carboxylato-2,6,11-triméthyl-2,4,6,8,10,12,14-hexadecaheptaenoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethyl-1-oxo-2,4,6,8,10,12,14-hexadecaheptaen-1-yl]-, ion(1-) [ACD/Index Name]
&β
1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxylato-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-β-D-glucopyranose
crocetin monoglucosyl ester
-D-glucosyl crocetin
β-D-glucosyl crocetin
β-D-glucosyl crocetin(1-)
More...
  • Miscellaneous

    • Chemical Class:

      A carboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of beta-D-glucosyl crocetin. The major species at pH 7.3. ChEBI CHEBI:62766

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

Density:
Boiling Point: 743.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 245.9±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 12.57
ACD/KOC (pH 5.5): 120.49
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.91
Polar Surface Area: 157 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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