ChemSpider 2D Image | Me-YTM-T | C35H29N5O8S

Me-YTM-T

  • Molecular FormulaC35H29N5O8S
  • Average mass679.698 Da
  • Monoisotopic mass679.173706 Da
  • ChemSpider ID58163879

More details:

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

5-Hydroxy-6-({4-hydroxy-6-[(5-hydroxy-6-méthoxy-1H-indol-2-yl)carbonyl]-8-méthyl-3,6-dihydropyrrolo[3,2-e]indol-2-yl}carbonyl)-4-méthoxy-3,6,7,8-tétrahydropyrrolo[3,2-e]indole-2-carbothioate de S-méth yle [French] [ACD/IUPAC Name]
Me-YTM-T
Pyrrolo[3,2-e]indole-2-carbothioic acid, 6-[[3,6-dihydro-4-hydroxy-6-[(5-hydroxy-6-methoxy-1H-indol-2-yl)carbonyl]-8-methylpyrrolo[3,2-e]indol-2-yl]carbonyl]-3,6,7,8-tetrahydro-5-hydroxy-4-methoxy-, S -methyl ester [ACD/Index Name]
S-Methyl 5-hydroxy-6-({4-hydroxy-6-[(5-hydroxy-6-methoxy-1H-indol-2-yl)carbonyl]-8-methyl-3,6-dihydropyrrolo[3,2-e]indol-2-yl}carbonyl)-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbothioate [ACD/IUPAC Name]
S-Methyl-5-hydroxy-6-({4-hydroxy-6-[(5-hydroxy-6-methoxy-1H-indol-2-yl)carbonyl]-8-methyl-3,6-dihydropyrrolo[3,2-e]indol-2-yl}carbonyl)-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-carbothioat [German] [ACD/IUPAC Name]
methyl YTM-T
methylated YTM-T
S-methyl 5-hydroxy-6-[4-hydroxy-6-(5-hydroxy-6-methoxy-1H-indole-2-carbonyl)-8-methyl-3,6-dihydropyrrolo[3,2-e]indole-2-carbonyl]-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbothioate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 981.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.9±3.0 kJ/mol
Flash Point: 547.2±34.3 °C
Index of Refraction: 1.802
Molar Refractivity: 175.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.09
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.80
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 38.87
Polar Surface Area: 211 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 409.8±7.0 cm3

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