ChemSpider 2D Image | (9cis)-O~15~-[(2S,3R,4R,5S,6R)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-2-oxoretinoic acid | C26H34O9

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

  • Molecular FormulaC26H34O9
  • Average mass490.543 Da
  • Monoisotopic mass490.220276 Da
  • ChemSpider ID30778541

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9cis)-O15-[(2S,3R,4R,5S,6R)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-2-oxoretinoic acid [ACD/IUPAC Name]
(9cis)-O15-[(2S,3R,4R,5S,6R)-6-Carboxy-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]-2-oxorétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-[(2S,3R,4R,5S,6R)-6-carboxytetrahydro-3,4,5-trihydroxy-2H-pyran-2-yl]-2-oxo-, (9cis)- [ACD/Index Name]
(2R,3S,4R,5R,6S)-6-{[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-5-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
4-Oxo-9-cis-retinoyl-β-glucuronide

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 233.9±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.04
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 378.3±5.0 cm3

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