Found 13 results

Search term: MF = 'C_{20}H_{29}ClO_{5}'
ChemSpider 2D Image | (5xi)-6-O-[4-Chloro-2-(cyclohexylmethyl)-6-methylphenyl]-2,4-dideoxy-D-glycero-hexonic acid | C20H29ClO5

(5ξ)-6-O-[4-Chloro-2-(cyclohexylmethyl)-6-methylphenyl]-2,4-dideoxy-D-glycero-hexonic acid

  • Molecular FormulaC20H29ClO5
  • Average mass384.894 Da
  • Monoisotopic mass384.170349 Da
  • ChemSpider ID25063530

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5ξ)-6-O-[4-Chlor-2-(cyclohexylmethyl)-6-methylphenyl]-2,4-didesoxy-D-glycero-hexonsäure [German] [ACD/IUPAC Name]
(5ξ)-6-O-[4-Chloro-2-(cyclohexylmethyl)-6-methylphenyl]-2,4-dideoxy-D-glycero-hexonic acid [ACD/IUPAC Name]
Acide (5ξ)-6-O-[4-chloro-2-(cyclohexylméthyl)-6-méthylphényl]-2,4-didésoxy-D-glycéro-hexonique [French] [ACD/IUPAC Name]
D-glycero-Hexonic acid, 6-O-[4-chloro-2-(cyclohexylmethyl)-6-methylphenyl]-2,4-dideoxy-, (5ξ)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1205475/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 22.57
ACD/KOC (pH 5.5): 133.98
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.29
Polar Surface Area: 87 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

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