Deprecated ChemSpider Record

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ChemSpider 2D Image | D-Alanyl-D-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-D-seryl-D-lysyl-D-arginyl-D-alpha-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-allothreonyl-D-aspartic acid | C85H144N26O28S

D-Alanyl-D-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-D-seryl-D-lysyl-D-arginyl-D-α-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-allothreonyl-D-aspartic acid

  • Molecular FormulaC85H144N26O28S
  • Average mass2010.275 Da
  • Monoisotopic mass2009.036377 Da
  • ChemSpider ID28534083
  • defined stereocentres - 19 of 19 defined stereocentres

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

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

Acide D-alanyl-D-valyl-L-glutaminyl-L-séryl-L-lysyl-L-prolyl-L-prolyl-D-séryl-D-lysyl-D-arginyl-D-α-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-méthionyl-L-glutaminyl-L-allothréonyl-D-aspartique [French] [ACD/IUPAC Name]
D-Alanyl-D-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-D-seryl-D-lysyl-D-arginyl-D-α-asparagyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-allothreonyl-D-asparaginsäure [German] [ACD/IUPAC Name]
D-Alanyl-D-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-D-seryl-D-lysyl-D-arginyl-D-α-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-allothreonyl-D-aspartic acid [ACD/IUPAC Name]
D-Aspartic acid, D-alanyl-D-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-D-seryl-D-lysyl-D-arginyl-D-α-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-allothreonyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 488.8±0.5 cm3
#H bond acceptors: 54
#H bond donors: 35
#Freely Rotating Bonds: 65
#Rule of 5 Violations: 3
ACD/LogP: -6.21
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: 910 Å2
Polarizability: 193.8±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 1292.2±7.0 cm3

Click to predict properties on the Chemicalize site