ChemSpider 2D Image | Methyl (2S,4Z)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-[{[(2-methyl-2-propanyl)oxy]carbonyl}(phenoxycarbonothioyl)amino]-5-[(phenoxycarbonothioyl)amino]-4-pentenoate | C30H37N3O8S2

Methyl (2S,4Z)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-[{[(2-methyl-2-propanyl)oxy]carbonyl}(phenoxycarbonothioyl)amino]-5-[(phenoxycarbonothioyl)amino]-4-pentenoate

  • Molecular FormulaC30H37N3O8S2
  • Average mass631.760 Da
  • Monoisotopic mass631.202209 Da
  • ChemSpider ID8207544

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S,4Z)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-4-[{[(2-méthyl-2-propanyl)oxy]carbonyl}(phénoxycarbonothioyl)amino]-5-[(phénoxycarbonothioyl)amino]-4-penténoate de méthyle [French] [ACD/IUPAC Name]
4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(1,1-dimethylethoxy)carbonyl](phenoxythioxomethyl)amino]-5-[(phenoxythioxomethyl)amino]-, methyl ester, (2S,4Z)- [ACD/Index Name]
Methyl (2S,4Z)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-[{[(2-methyl-2-propanyl)oxy]carbonyl}(phenoxycarbonothioyl)amino]-5-[(phenoxycarbonothioyl)amino]-4-pentenoate [ACD/IUPAC Name]
Methyl-(2S,4Z)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-[{[(2-methyl-2-propanyl)oxy]carbonyl}(phenoxycarbonothioyl)amino]-5-[(phenoxycarbonothioyl)amino]-4-pentenoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 8.93
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79318.76
ACD/KOC (pH 5.5): 111823.34
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 78302.98
ACD/KOC (pH 7.4): 110391.31
Polar Surface Area: 189 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 501.6±3.0 cm3

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