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Search term: 34485443 (Found by CSID)
ChemSpider 2D Image | (-)-carlosic acid | C10H12O6

(-)-carlosic acid

  • Molecular FormulaC10H12O6
  • Average mass228.199 Da
  • Monoisotopic mass228.063385 Da
  • ChemSpider ID34485443

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-carlosic acid
(2S)-2,5-Dihydro-3-hydroxy-5-oxo-4-(1-oxobutyl)-2-furanacetic acid
(S)-carlosic acid
[(2S)-4-Butyryl-3-hydroxy-5-oxo-2,5-dihydro-2-furanyl]acetic acid [ACD/IUPAC Name]
[(2S)-4-Butyryl-3-hydroxy-5-oxo-2,5-dihydro-2-furanyl]essigsäure [German] [ACD/IUPAC Name]
2-Furanacetic acid, 2,5-dihydro-3-hydroxy-5-oxo-4-(1-oxobutyl)-, (2S)- [ACD/Index Name]
33404-61-4 [RN]
Acide [(2S)-4-butyryl-3-hydroxy-5-oxo-2,5-dihydro-2-furanyl]acétique [French] [ACD/IUPAC Name]
carlosic acid
[(2S)-4-butanoyl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetic acid; [(2S)-4-butyryl-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
  • Miscellaneous

    • Chemical Class:

      A tetronic acid derivative that is furan-2(5<element>H</element>)-one which is substituted at positions 3, 4, and 5 by butanoyl, hydroxy, and carboxymethyl groups, respectively (the <stereo>S</stereo> enantiomer). ChEBI CHEBI:133953
      A tetronic acid derivative that is furan-2(5H)-one which is substituted at positions 3, 4, and 5 by butanoyl, hydroxy, and carboxymethyl groups, respectively (the S enantiomer). ChEBI CHEBI:133953
      A tetronic acid derivative that is furan-2(5H)-one which is substituted at positions 3, 4, and 5 by butanoyl, hydroxy, and carboxymethyl groups, respectively (the S; enantiomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133953

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 210.9±23.6 °C
Index of Refraction: 1.551
Molar Refractivity: 50.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -4.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 159.0±3.0 cm3

Click to predict properties on the Chemicalize site


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