ChemSpider 2D Image | (4S)-4-Hydroxy-15-oxidoretinal | C20H27O3

(4S)-4-Hydroxy-15-oxidoretinal

  • Molecular FormulaC20H27O3
  • Average mass315.427 Da
  • Monoisotopic mass315.196564 Da
  • ChemSpider ID76962816

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Hydroxy-15-oxidoretinal [German] [ACD/IUPAC Name]
(4S)-4-Hydroxy-15-oxidoretinal [ACD/IUPAC Name]
(4S)-4-Hydroxy-15-oxydorétinal [French] [ACD/IUPAC Name]
Retinoic acid, 4-hydroxy-, ion(1-), (4S)- [ACD/Index Name]
(4S)-OH-atRA
(S)-all-trans-4-hydroxyretinoate
all-trans-(4S)-hydroxyretinoate
  • Miscellaneous

    • Chemical Class:

      An all-trans-4-hydroxyretinoate that is the conjugate base of (S)-all-trans-4-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; m; ajor species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134185
      An all-trans-4-hydroxyretinoate that is the conjugate base of (S)-all-trans-4-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:134185

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

Density:
Boiling Point: 506.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 274.2±21.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 351.60
ACD/KOC (pH 5.5): 1335.15
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 21.23
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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