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Search term: LZZSZMJTHYOSLN-UNXIWMFYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | AC-CYS(FARNESYL)-VAL-ILE-MET-OH | C36H62N4O6S2

AC-CYS(FARNESYL)-VAL-ILE-MET-OH

  • Molecular FormulaC36H62N4O6S2
  • Average mass711.031 Da
  • Monoisotopic mass710.411072 Da
  • ChemSpider ID394567

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

144608-65-1 [RN]
AC-CYS(FARNESYL)-VAL-ILE-MET-OH
L-Methionine, N-acetyl-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteinyl-L-valyl-L-isoleucyl- [ACD/Index Name]
N-Acetyl-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteinyl-L-valyl-L-isoleucyl-L-methionin [German] [ACD/IUPAC Name]
N-Acetyl-S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteinyl-L-valyl-L-isoleucyl-L-methionine [ACD/IUPAC Name]
N-Acétyl-S-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-L-cystéinyl-L-valyl-L-isoleucyl-L-méthionine [French] [ACD/IUPAC Name]
N-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL]-L-CYSTEINYL-D-VALYL-L-ISOLEUCYL-L-METHIONINE
2NH

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

Density: 1.1±0.1 g/cm3
Boiling Point: 954.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.7±6.0 kJ/mol
Flash Point: 531.0±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 200.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 4
ACD/LogP: 8.64
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 95.86
ACD/KOC (pH 5.5): 209.87
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 4.17
ACD/KOC (pH 7.4): 9.13
Polar Surface Area: 204 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 651.6±3.0 cm3

Click to predict properties on the Chemicalize site


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