ChemSpider 2D Image | 3-(4-{(2E,4E,6E,8E,10E)-13-[(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy]-10,12,14-trimethyl-2,4,6,8,10-pentadecapentaenoyl}-3-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)propanoic acid | C32H45NO9

3-(4-{(2E,4E,6E,8E,10E)-13-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-10,12,14-trimethyl-2,4,6,8,10-pentadecapentaenoyl}-3-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)propanoic acid

  • Molecular FormulaC32H45NO9
  • Average mass587.701 Da
  • Monoisotopic mass587.309448 Da
  • ChemSpider ID30792009

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 7 defined stereocentres

More details:

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

1H-Pyrrole-2-propanoic acid, 4-[(2E,4E,6E,8E,10E)-13-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-10,12,14-trimethyl-1-oxo-2,4,6,8,10-pentadecapentaen-1-yl]-2,5-dihydro-3-hydroxy-1-methyl-5-oxo- [ACD/Index Name]
3-(4-{(2E,4E,6E,8E,10E)-13-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-10,12,14-trimethyl-2,4,6,8,10-pentadecapentaenoyl}-3-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)propanoic acid [ACD/IUPAC Name]
3-(4-{(2E,4E,6E,8E,10E)-13-[(2,6-Didesoxy-β-D-ribo-hexopyranosyl)oxy]-10,12,14-trimethyl-2,4,6,8,10-pentadecapentaenoyl}-3-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4-{(2E,4E,6E,8E,10E)-13-[(2,6-didésoxy-β-D-ribo-hexopyranosyl)oxy]-10,12,14-triméthyl-2,4,6,8,10-pentadecapentaenoyl}-3-hydroxy-1-méthyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)propanoïque [French] [ACD/IUPAC Name]
Lipomycin
α-Lipomycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 805.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.3±6.0 kJ/mol
Flash Point: 440.6±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 158.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.30
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

Click to predict properties on the Chemicalize site


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