Deprecated ChemSpider Record

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ChemSpider 2D Image | 5-Oxoprolylprolylseryllysyl-alpha-aspartylalanylphenylalanylisoleucylglycylleucylmethioninamide | C54H85N13O15S

5-Oxoprolylprolylseryllysyl-α-aspartylalanylphenylalanylisoleucylglycylleucylmethioninamide

  • Molecular FormulaC54H85N13O15S
  • Average mass1188.396 Da
  • Monoisotopic mass1187.600830 Da
  • ChemSpider ID6006

More details:





Date of deprecation: 16:26, Aug 20, 2015
Reason for deprecation: Deprecate record: Missing all stereochemistry.

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

5-Oxoprolylprolylseryllysyl-α-asparagylalanylphenylalanylisoleucylglycylleucylmethioninamid [German] [ACD/IUPAC Name]
5-Oxoprolylprolylseryllysyl-α-aspartylalanylphenylalanylisoleucylglycylleucylmethioninamide [ACD/IUPAC Name]
5-Oxoprolylprolylséryllysyl-α-aspartylalanylphénylalanylisoleucylglycylleucylméthioninamide [French] [ACD/IUPAC Name]
Methioninamide, 5-oxoprolylprolylseryllysyl-α-aspartylalanylphenylalanylisoleucylglycylleucyl- [ACD/Index Name]

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

BRN 4796573 [DBID]
ELD 950 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1618.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 265.7±3.0 kJ/mol
Flash Point: 932.4±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 302.0±0.3 cm3
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -5.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 463 Å2
Polarizability: 119.7±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 921.7±3.0 cm3

Click to predict properties on the Chemicalize site





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