ChemSpider 2D Image | (5S)-2,4-Dideoxy-3-O-[(2R,3R,4S,6R,7S,8R)-3,7-dihydroxy-2,4,6,8-tetramethyl-5,9-dioxoundecanoyl]-1-C-ethyl-5-isopropyl-2,4-dimethyl-alpha-L-ribopyranose | C27H48O8

(5S)-2,4-Dideoxy-3-O-[(2R,3R,4S,6R,7S,8R)-3,7-dihydroxy-2,4,6,8-tetramethyl-5,9-dioxoundecanoyl]-1-C-ethyl-5-isopropyl-2,4-dimethyl-α-L-ribopyranose

  • Molecular FormulaC27H48O8
  • Average mass500.665 Da
  • Monoisotopic mass500.334930 Da
  • ChemSpider ID29215249

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5S)-2,4-Dideoxy-3-O-[(2R,3R,4S,6R,7S,8R)-3,7-dihydroxy-2,4,6,8-tetramethyl-5,9-dioxoundecanoyl]-1-C-ethyl-5-isopropyl-2,4-dimethyl-α-L-ribopyranose [ACD/IUPAC Name]
(5S)-2,4-Didesoxy-3-O-[(2R,3R,4S,6R,7S,8R)-3,7-dihydroxy-2,4,6,8-tetramethyl-5,9-dioxoundecanoyl]-1-C-ethyl-5-isopropyl-2,4-dimethyl-α-L-ribopyranose [German] [ACD/IUPAC Name]
(5S)-2,4-Didésoxy-3-O-[(2R,3R,4S,6R,7S,8R)-3,7-dihydroxy-2,4,6,8-tétraméthyl-5,9-dioxoundecanoyl]-1-C-éthyl-5-isopropyl-2,4-diméthyl-α-L-ribopyranose [French] [ACD/IUPAC Name]
α-L-Ribopyranose, 2,4-dideoxy-3-O-[(2R,3R,4S,6R,7S,8R)-3,7-dihydroxy-2,4,6,8-tetramethyl-1,5,9-trioxoundecyl]-1-C-ethyl-2,4-dimethyl-5-C-(1-methylethyl)-, (5S)- [ACD/Index Name]
dolabriferol C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 193.9±25.0 °C
Index of Refraction: 1.499
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.62
ACD/KOC (pH 5.5): 672.51
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.62
ACD/KOC (pH 7.4): 672.51
Polar Surface Area: 130 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 453.6±5.0 cm3

Click to predict properties on the Chemicalize site


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