ChemSpider 2D Image | (4R)-O~15~-Acetyl-4-(alpha-L-talopyranuronosyloxy)retinol | C28H40O9

(4R)-O15-Acetyl-4-(α-L-talopyranuronosyloxy)retinol

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID30778553

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4R)-O15-Acetyl-4-(α-L-talopyranuronosyloxy)retinol [German] [ACD/IUPAC Name]
(4R)-O15-Acetyl-4-(α-L-talopyranuronosyloxy)retinol [ACD/IUPAC Name]
(4R)-O15-Acétyl-4-(α-L-talopyranuronosyloxy)rétinol [French] [ACD/IUPAC Name]
Retinol, O15-acetyl-4-(α-L-talopyranuronosyloxy)-, (4R)- [ACD/Index Name]
(2R,3S,4R,5R,6R)-6-{[(1R)-3-[(1E,3E,5E,7E)-9-(acetyloxy)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
rac-4-Hydroxy-4-O-(β-D-glucuronide)-all-trans-retinyl acetate

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: 1.2±0.1 g/cm3
Boiling Point: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 225.6±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 420.3±5.0 cm3

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