ChemSpider 2D Image | N-Acetyl-S-{[(6'R)-6'-hydroxy-2',4',6'-trimethyl-7'-oxo-6',7'-dihydrospiro[cyclopropane-1,5'-inden]-3'-yl]methyl}-D-cysteinylglycyl-L-leucine | C28H39N3O7S

N-Acetyl-S-{[(6'R)-6'-hydroxy-2',4',6'-trimethyl-7'-oxo-6',7'-dihydrospiro[cyclopropane-1,5'-inden]-3'-yl]methyl}-D-cysteinylglycyl-L-leucine

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID9975685

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucine, N-acetyl-S-[[(6'R)-6',7'-dihydro-6'-hydroxy-2',4',6'-trimethyl-7'-oxospiro[cyclopropane-1,5'-[5H]inden]-3'-yl]methyl]-D-cysteinylglycyl- [ACD/Index Name]
N-Acetyl-S-{[(6'R)-6'-hydroxy-2',4',6'-trimethyl-7'-oxo-6',7'-dihydrospiro[cyclopropane-1,5'-inden]-3'-yl]methyl}-D-cysteinylglycyl-L-leucin [German] [ACD/IUPAC Name]
N-Acetyl-S-{[(6'R)-6'-hydroxy-2',4',6'-trimethyl-7'-oxo-6',7'-dihydrospiro[cyclopropane-1,5'-inden]-3'-yl]methyl}-D-cysteinylglycyl-L-leucine [ACD/IUPAC Name]
N-Acétyl-S-{[(6'R)-6'-hydroxy-2',4',6'-triméthyl-7'-oxo-6',7'-dihydrospiro[cyclopropane-1,5'-inden]-3'-yl]méthyl}-D-cystéinylglycyl-L-leucine [French] [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: 938.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.9±6.0 kJ/mol
Flash Point: 521.3±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 427.2±5.0 cm3

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