Found 15 results

Search term: LRUBQXAKGXQBHA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (1R,2R,3S)-5-Cyclohexene-1,2,3,4-tetrol | C6H10O4

(1R,2R,3S)-5-Cyclohexene-1,2,3,4-tetrol

  • Molecular FormulaC6H10O4
  • Average mass146.141 Da
  • Monoisotopic mass146.057907 Da
  • ChemSpider ID31043463
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(1R,2R,3S)-5-Cyclohexen-1,2,3,4-tetrol [German] [ACD/IUPAC Name]
(1R,2R,3S)-5-Cyclohexene-1,2,3,4-tetrol [ACD/IUPAC Name]
(1R,2R,3S)-5-Cyclohexène-1,2,3,4-tétrol [French] [ACD/IUPAC Name]
5-Cyclohexene-1,2,3,4-tetrol, (1R,2R,3S)- [ACD/Index Name]
2089584-45-0 [RN]
25348-64-5 [RN]
4782-75-6 [RN]
526-87-4 [RN]
Conduritol A
Conduritol B
More...

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

Density: 1.7±0.1 g/cm3
Boiling Point: 281.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.4±6.0 kJ/mol
Flash Point: 141.3±21.9 °C
Index of Refraction: 1.693
Molar Refractivity: 33.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.96
Polar Surface Area: 81 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 87.7±3.0 cm3

Click to predict properties on the Chemicalize site






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