ChemSpider 2D Image | (4S)-4,16-Dihydroxy-15-oxidoretinal | C20H27O4

(4S)-4,16-Dihydroxy-15-oxidoretinal

  • Molecular FormulaC20H27O4
  • Average mass331.427 Da
  • Monoisotopic mass331.191498 Da
  • ChemSpider ID58827348

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4,16-Dihydroxy-15-oxidoretinal [German] [ACD/IUPAC Name]
(4S)-4,16-Dihydroxy-15-oxidoretinal [ACD/IUPAC Name]
(4S)-4,16-Dihydroxy-15-oxydorétinal [French] [ACD/IUPAC Name]
Retinoic acid, 4,16-dihydroxy-, ion(1-), (4S)- [ACD/Index Name]
(4S)-4,16-dihydroxyretinoate
all-trans-(4S,16)-dihydroxyretinoate
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (4S)-4,16-dihydroxyretinoic acid. ChEBI CHEBI:134233

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

Density:
Boiling Point: 557.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 304.9±22.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 23.60
ACD/KOC (pH 5.5): 193.10
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.07
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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