ChemSpider 2D Image | S-(2-{[N-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate | C21H41N2O7PS

S-(2-{[N-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-β-alanyl]amino}ethyl) decanethioate

  • Molecular FormulaC21H41N2O7PS
  • Average mass496.598 Da
  • Monoisotopic mass496.237213 Da
  • ChemSpider ID25060978
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Décanethioate de S-[2-({N-[(2R)-2-hydroxy-4-{[hydroxy(oxydo)phosphoranyl]oxy}-3,3-diméthylbutanoyl]-β-alanyl}amino)éthyle] [French] [ACD/IUPAC Name]
Decanethioic acid, S-[2-[[3-[[(2R)-2-hydroxy-4-[(hydroxyphosphinyl)oxy]-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester [ACD/Index Name]
S-(2-{[N-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-β-alanyl]amino}ethyl) decanethioate
S-[2-({N-[(2R)-2-Hydroxy-4-{[hydroxy(oxido)phosphoranyl]oxy}-3,3-dimethylbutanoyl]-β-alanyl}amino)ethyl] decanethioate [ACD/IUPAC Name]
S-[2-({N-[(2R)-2-Hydroxy-4-{[hydroxy(oxido)phosphoranyl]oxy}-3,3-dimethylbutanoyl]-β-alanyl}amino)ethyl]-decanthioat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 191 Å2
Polarizability:
Surface Tension:
Molar Volume:

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