Found 1 result

Search term: carminate (Found by synonym)
ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(7-carboxylato-1,4,6-trihydroxy-8-methyl-3-oxido-9,10-dioxo-9,10-dihydro-2-anthracenyl)-D-glucitol | C22H18O13

(1S)-1,5-Anhydro-1-(7-carboxylato-1,4,6-trihydroxy-8-methyl-3-oxido-9,10-dioxo-9,10-dihydro-2-anthracenyl)-D-glucitol

  • Molecular FormulaC22H18O13
  • Average mass490.372 Da
  • Monoisotopic mass490.075836 Da
  • ChemSpider ID128920036

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(7-carboxylato-1,4,6-trihydroxy-8-methyl-3-oxido-9,10-dioxo-9,10-dihydro-2-anthracenyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(7-carboxylato-1,4,6-trihydroxy-8-methyl-3-oxido-9,10-dioxo-9,10-dihydro-2-anthracenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(7-carboxylato-1,4,6-trihydroxy-8-méthyl-9,10-dioxo-3-oxydo-9,10-dihydro-2-anthracényl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-(7-carboxy-9,10-dihydro-1,3,4,6-tetrahydroxy-8-methyl-9,10-dioxo-2-anthracenyl)-, ion(2-), (1S)- [ACD/Index Name]
(1S)-1,5-anhydro-1-(7-carboxylato-1,4,6-trihydroxy-8-methyl-3-oxido-9,10-dioxo-9,10-dihydroanthracen-2-yl)-D-glucitol
carminate
carminate(2-)
carminic acid dianion
carminic acid(2-)
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion obtained from the deprotonation of the 3-hydroxy and 7-carboxy groups of carminic acid. Major species at pH 7.3. ChEBI CHEBI:149531

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

Density:
Boiling Point: 907.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.2±3.0 kJ/mol
Flash Point: 316.1±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.80
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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