ChemSpider 2D Image | S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE | C18H35N2O7PS

S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-β-ALANYL]AMINO}ETHYL) HEPTANETHIOATE

  • Molecular FormulaC18H35N2O7PS
  • Average mass454.518 Da
  • Monoisotopic mass454.190247 Da
  • ChemSpider ID25057801

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Heptanethioate de S-[2-({N-[(2R)-2-hydroxy-4-{[hydroxy(oxydo)phosphoranyl]oxy}-3,3-diméthylbutanoyl]-β-alanyl}amino)éthyle] [French] [ACD/IUPAC Name]
Heptanethioic 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) HEPTANETHIOATE
S-[2-({N-[(2R)-2-Hydroxy-4-{[hydroxy(oxido)phosphoranyl]oxy}-3,3-dimethylbutanoyl]-β-alanyl}amino)ethyl] heptanethioate [ACD/IUPAC Name]
S-[2-({N-[(2R)-2-Hydroxy-4-{[hydroxy(oxido)phosphoranyl]oxy}-3,3-dimethylbutanoyl]-β-alanyl}amino)ethyl]-heptanthioat [German] [ACD/IUPAC Name]
(3R)-3-[(2-{[2-(heptanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxyphosphinic acid
[(3R)-3-[(2-{[2-(heptanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy]phosphinic acid

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: -0.74
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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