ChemSpider 2D Image | (2S)-2-{(2R,3R,5S,6S)-6-[(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]-2-hydrox y-3,5-dimethyltetrahydro-2H-pyran-2-yl}propanoic acid | C35H62O10

(2S)-2-{(2R,3R,5S,6S)-6-[(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]-2-hydrox y-3,5-dimethyltetrahydro-2H-pyran-2-yl}propanoic acid

  • Molecular FormulaC35H62O10
  • Average mass642.861 Da
  • Monoisotopic mass642.434326 Da
  • ChemSpider ID143359

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2S)-2-{(2R,3R,5S,6S)-6-[(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]-2-hydrox y-3,5-dimethyltetrahydro-2H-pyran-2-yl}propanoic acid [ACD/IUPAC Name]
(2S)-2-{(2R,3R,5S,6S)-6-[(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]-2-hydrox y-3,5-dimethyltetrahydro-2H-pyran-2-yl}propansäure [German] [ACD/IUPAC Name]
2H-Pyran-2-acetic acid, 6-[(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]tetrah ;ydro-2-hydroxy-α,3,5-trimethyl-, (αS,2R,3R,5S,6S)- [ACD/Index Name]
Acide (2S)-2-{(2R,3R,5S,6S)-6-[(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]-2- hydroxy-3,5-diméthyltétrahydro-2H-pyran-2-yl}propanoïque [French] [ACD/IUPAC Name]
(2S)-2-[(2R,3R,5S,6S)-6-[(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-TRIMETHYL-[2,2'-BIOXOLANE]-5-YL]-3-HYDROXY-4-METHYL-5-OXOOCTAN-2-YL]-2-HYDROXY-3,5-DIMETHYLOXAN-2-YL]PROPANOIC ACID
(2S)-2-Methyllysocellin
83852-60-2 [RN]
Antibiotic 5057B
E'Ferensimycin B'
Ferensimycin B
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 753.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 225.0±26.4 °C
Index of Refraction: 1.507
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 11.35
ACD/KOC (pH 5.5): 80.93
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 163 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 572.8±3.0 cm3

Click to predict properties on the Chemicalize site


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