ChemSpider 2D Image | (9cis)-O~15~-[(2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinol | C26H38O7

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

  • Molecular FormulaC26H38O7
  • Average mass462.576 Da
  • Monoisotopic mass462.261749 Da
  • ChemSpider ID44205567

  • 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-[(2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinol [German] [ACD/IUPAC Name]
(9cis)-O15-[(2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinol [ACD/IUPAC Name]
(9cis)-O15-[(2R,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]rétinol [French] [ACD/IUPAC Name]
153321-67-6 [RN]
Retinol, O15-[(2R,3R,4S,5S,6S)-6-carboxytetrahydro-3,4,5-trihydroxy-2H-pyran-2-yl]-, (9cis)- [ACD/Index Name]
[153321-67-6] [RN]
9-cis Retinoyl b-D-Glucuronide
9-CIS RETINOYL -D-GLUCURONIDE
9-cis Retinoyl β-D-glucuronide
9-cis-Retinoic Acid Glucuronide (Alitretinoin Glucuronide)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 659.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 216.4±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 5.86
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 384.8±5.0 cm3

Click to predict properties on the Chemicalize site


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