Found 53 results

Search term: MF = 'C_{8}H_{12}O_{7}'
ChemSpider 2D Image | (1R,2S)-1-Hydroxy-1,2,5-pentanetricarboxylic acid | C8H12O7

(1R,2S)-1-Hydroxy-1,2,5-pentanetricarboxylic acid

  • Molecular FormulaC8H12O7
  • Average mass220.177 Da
  • Monoisotopic mass220.058304 Da
  • ChemSpider ID23283356

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-1-Hydroxy-1,2,5-pentanetricarboxylic acid [ACD/IUPAC Name]
(1R,2S)-1-Hydroxy-1,2,5-pentantricarbonsäure [German] [ACD/IUPAC Name]
1,2,5-Pentanetricarboxylic acid, 1-hydroxy-, (1R,2S)- [ACD/Index Name]
Acide (1R,2S)-1-hydroxy-1,2,5-pentanetricarboxylique [French] [ACD/IUPAC Name]
(-)-threo-1-hydroxy-1,2,5-pentanetricarboxylic acid
(1R,2S)-1-hydroxypentane-1,2,5-tricarboxylic acid
928169-55-5 [RN]
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid that is pimelic acid carrying an additional carboxy substituent at position 3 as well as a hydroxy substituent at position 2 (the 2<stereo>R</stereo>,3<stereo>S</stereo>-diastereo mer). ChEBI CHEBI:72713
      A tricarboxylic acid that is pimelic acid carrying an additional carboxy substituent at position 3 as well as a hydroxy substituent at position 2 (the 2R,3S-diastereo; mer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72713
      A tricarboxylic acid that is pimelic acid carrying an additional carboxy substituent at position 3 as well as a hydroxy substituent at position 2 (the 2R,3S-diastereomer). ChEBI CHEBI:72713

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

Density: 1.5±0.1 g/cm3
Boiling Point: 433.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 230.1±25.2 °C
Index of Refraction: 1.547
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 80.3±3.0 dyne/cm
Molar Volume: 142.7±3.0 cm3

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