ChemSpider 2D Image | (5R)-2,4-Dideoxy-2-ethyl-5-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5S,5'R)-5'-ethyl-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyloctahydro-2,2'-bifuran-5-yl}-3-hydroxy-4-methyl-5-oxo-2-octanyl]-4-met hyl-1-C-methyl-alpha-D-ribopyranose | C34H62O9

(5R)-2,4-Dideoxy-2-ethyl-5-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5S,5'R)-5'-ethyl-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyloctahydro-2,2'-bifuran-5-yl}-3-hydroxy-4-methyl-5-oxo-2-octanyl]-4-met hyl-1-C-methyl-α-D-ribopyranose

  • Molecular FormulaC34H62O9
  • Average mass614.851 Da
  • Monoisotopic mass614.439392 Da
  • ChemSpider ID152338

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(5R)-2,4-Dideoxy-2-ethyl-5-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5S,5'R)-5'-ethyl-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyloctahydro-2,2'-bifuran-5-yl}-3-hydroxy-4-methyl-5-oxo-2-octanyl]-4-met ;hyl-1-C-methyl-α-D-ribopyranose [ACD/IUPAC Name]
(5R)-2,4-Didesoxy-2-ethyl-5-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5S,5'R)-5'-ethyl-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyloctahydro-2,2'-bifuran-5-yl}-3-hydroxy-4-methyl-5-oxo-2-octanyl]-4-me ;thyl-1-C-methyl-α-D-ribopyranose [German] [ACD/IUPAC Name]
(5R)-2,4-Didésoxy-2-éthyl-5-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5S,5'R)-5'-éthyl-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-triméthyloctahydro-2,2'-bifuran-5-yl}-3-hydroxy-4-méthyl-5-oxo-2-octanyl]-4-mé ;thyl-1-C-méthyl-α-D-ribopyranose [French] [ACD/IUPAC Name]
α-D-Ribopyranose, 2,4-dideoxy-2-ethyl-5-C-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethy l-4-oxoheptyl]-4-methyl-1-C-methyl-, (5R)- [ACD/Index Name]
(5R)-3-De(carboxymethyl)-4-demethyl-4-ethyl-5-hydroxy-3-methyllysocellin
88263-36-9 [RN]
Antibiotic X 14873H
E'X-14873H'
Lysocellin, 3-de(carboxymethyl)-4-demethyl-4-ethyl-5-hydroxy-3-methyl-, (5R)-
X 14873H

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

Density: 1.1±0.1 g/cm3
Boiling Point: 722.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 216.1±26.4 °C
Index of Refraction: 1.503
Molar Refractivity: 165.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.58
ACD/KOC (pH 5.5): 1400.95
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.58
ACD/KOC (pH 7.4): 1400.94
Polar Surface Area: 146 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 560.7±3.0 cm3

Click to predict properties on the Chemicalize site


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