ChemSpider 2D Image | (5R)-2,4-Dideoxy-5-[(1R)-1-{3,5-dimethyl-4-oxo-6-[(2S)-3-oxo-2-pentanyl]-4H-pyran-2-yl}ethyl]-1-C-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-2,4-dimethyl-beta-D-lyxopyranose | C32H46O8

(5R)-2,4-Dideoxy-5-[(1R)-1-{3,5-dimethyl-4-oxo-6-[(2S)-3-oxo-2-pentanyl]-4H-pyran-2-yl}ethyl]-1-C-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-2,4-dimethyl-β-D-lyxopyranose

  • Molecular FormulaC32H46O8
  • Average mass558.703 Da
  • Monoisotopic mass558.319275 Da
  • ChemSpider ID29214778

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5R)-2,4-Dideoxy-5-[(1R)-1-{3,5-dimethyl-4-oxo-6-[(2S)-3-oxo-2-pentanyl]-4H-pyran-2-yl}ethyl]-1-C-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-2,4-dimethyl-β-D-lyxopyranose [ACD/IUPAC Name]
(5R)-2,4-Didesoxy-5-[(1R)-1-{3,5-dimethyl-4-oxo-6-[(2S)-3-oxo-2-pentanyl]-4H-pyran-2-yl}ethyl]-1-C-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-2,4-dimethyl-β-D-lyxopyranose [German] [ACD/IUPAC Name]
(5R)-2,4-Didésoxy-5-[(1R)-1-{3,5-diméthyl-4-oxo-6-[(2S)-3-oxo-2-pentanyl]-4H-pyran-2-yl}éthyl]-1-C-[(1S)-1-(6-éthyl-3,5-diméthyl-4-oxo-4H-pyran-2-yl)éthyl]-2,4-diméthyl-β-D-lyxopyranose [French] [ACD/IUPAC Name]
L-glycero-α-L-gulo-Undeca-7,10-dienopyranos-9-ulose, 7,11-anhydro-2,4,6,8,10-pentadeoxy-1-C-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-2,4,6,8,10-pentamethyl-11-C-[(1S)-1-methyl-2-ox obutyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 224.4±26.4 °C
Index of Refraction: 1.527
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1255.47
ACD/KOC (pH 5.5): 5750.74
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1255.46
ACD/KOC (pH 7.4): 5750.70
Polar Surface Area: 119 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 491.1±3.0 cm3

Click to predict properties on the Chemicalize site


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