Deprecated ChemSpider Record

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ChemSpider 2D Image | L-Histidyl-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-alpha-aspartyl-L-seryl-L-arginyl-L-arginyl-L-alanyl-L
-glutaminyl-L-alpha-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threonine | C153H225N43O49S

L-Histidyl-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-α-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-α-aspartyl-L-seryl-L-arginyl-L-arginyl-L-alanyl-L -glutaminyl-L-α-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threonine

  • Molecular FormulaC153H225N43O49S
  • Average mass3482.747 Da
  • Monoisotopic mass3480.615723 Da
  • ChemSpider ID10481928
  • defined stereocentres - 30 of 31 defined stereocentres


More details:





Date of deprecation: 13:46, Jan 18, 2017
Reason for deprecation: Deprecate record: Missing stereochemistry on one stereocentre.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 857.4±0.5 cm3
#H bond acceptors: 92
#H bond donors: 63
#Freely Rotating Bonds: 115
#Rule of 5 Violations: 3
ACD/LogP: -6.01
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: 1564 Å2
Polarizability: 339.9±0.5 10-24cm3
Surface Tension: 70.0±7.0 dyne/cm
Molar Volume: 2263.1±7.0 cm3

Click to predict properties on the Chemicalize site





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