Found 21 results

Search term: MF = 'C_{28}H_{36}N_{2}O_{9}S'
ChemSpider 2D Image | N-{[(7S)-3-[(6-Amino-6-deoxy-beta-D-glucopyranosyl)oxy]-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]methyl}acetamide | C28H36N2O9S

N-{[(7S)-3-[(6-Amino-6-deoxy-β-D-glucopyranosyl)oxy]-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]methyl}acetamide

  • Molecular FormulaC28H36N2O9S
  • Average mass576.658 Da
  • Monoisotopic mass576.214172 Da
  • ChemSpider ID23282914

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Acetamide, N-[[(7S)-3-[(6-amino-6-deoxy-β-D-glucopyranosyl)oxy]-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]methyl]- [ACD/Index Name]
N-{[(7S)-3-[(6-Amino-6-deoxy-β-D-glucopyranosyl)oxy]-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]methyl}acetamide [ACD/IUPAC Name]
N-{[(7S)-3-[(6-Amino-6-desoxy-β-D-glucopyranosyl)oxy]-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]methyl}acetamid [German] [ACD/IUPAC Name]
N-{[(7S)-3-[(6-Amino-6-désoxy-β-D-glucopyranosyl)oxy]-1,2-diméthoxy-10-(méthylsulfanyl)-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]méthyl}acétamide [French] [ACD/IUPAC Name]
6'-aminothiocolchicoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL390948/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 915.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.7±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

Click to predict properties on the Chemicalize site


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