ChemSpider 2D Image | Thiocolchicoside | C27H33NO10S

Thiocolchicoside

  • Molecular FormulaC27H33NO10S
  • Average mass563.617 Da
  • Monoisotopic mass563.182495 Da
  • ChemSpider ID65053

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

Acetamide, N-[3-(β-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[3-(β-D-Glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[3-(β-D-Glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[3-(β-D-Glucopyranosyloxy)-1,2-diméthoxy-10-(méthylsulfanyl)-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
Thiocolchicoside [INN] [Wiki]
10-Thiocolchicoside
2-10-Di(demethoxy)-2-glucosyloxy-10-methylthiocolchicine
4-17-00-03428 [Beilstein]
Acetamide, N-(3-(β-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
Colchicoside, 10-thio-
More...

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

AIDS131782 [DBID]
AIDS-131782 [DBID]
BRN 0072205 [DBID]
NSC 147755 [DBID]
NSC624673 [DBID]
Prestwick_875 [DBID]
Prestwick0_000539 [DBID]
Prestwick1_000539 [DBID]
SPBio_002478 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 929.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 516.0±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.07
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.07
Polar Surface Area: 189 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 385.6±5.0 cm3

Click to predict properties on the Chemicalize site


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