ChemSpider 2D Image | (5R)-1-C-(Carboxymethyl)-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-methyl-alpha-D-ribopyranose | C35H62O11

(5R)-1-C-(Carboxymethyl)-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-methyl-α-D-ribopyranose

  • Molecular FormulaC35H62O11
  • Average mass658.860 Da
  • Monoisotopic mass658.429199 Da
  • ChemSpider ID152339

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(5R)-1-C-(Carboxymethyl)-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-methyl-α-D-ribopyranose [ACD/IUPAC Name]
(5R)-1-C-(Carboxymethyl)-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-methyl-α-D-ribopyranose [German] [ACD/IUPAC Name]
(5R)-1-C-(Carboxyméthyl)-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-méthyl-α-D-ribopyranose [French] [ACD/IUPAC Name]
α-D-ribo-3-Heptulopyranosonic acid, 2,4,6-trideoxy-4-ethyl-7-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-dimethyl-4-oxoheptyl]-6-methyl-, (7R)- [ACD/Index Name]
(5R)-4-Demethyl-4-ethyl-5-hydroxylysocellin
88263-37-0 [RN]
Antibiotic X 14873A
Lysocellin, 4-demethyl-4-ethyl-5-hydroxy-, (5R)-
X 14873A
x-14873a

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

Density: 1.1±0.1 g/cm3
Boiling Point: 793.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±6.0 kJ/mol
Flash Point: 238.5±26.4 °C
Index of Refraction: 1.513
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 25.96
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 572.9±3.0 cm3

Click to predict properties on the Chemicalize site


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