ChemSpider 2D Image | (9cis)-O~15~-[(2S,4R,5S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid | C26H36O8

(9cis)-O15-[(2S,4R,5S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid

  • Molecular FormulaC26H36O8
  • Average mass476.559 Da
  • Monoisotopic mass476.241028 Da
  • ChemSpider ID113618710

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(9cis)-O15-[(2S,4R,5S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid [ACD/IUPAC Name]
(9cis)-O15-[(2S,4R,5S)-6-Carboxy-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-[(2S,4R,5S)-6-carboxytetrahydro-3,4,5-trihydroxy-2H-pyran-2-yl]-, (9cis)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 220.1±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 5.49
ACD/KOC (pH 5.5): 17.07
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.89
Polar Surface Area: 134 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 381.6±5.0 cm3

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