ChemSpider 2D Image | Bivalirudin | C98H138N24O33

Bivalirudin

  • Molecular FormulaC98H138N24O33
  • Average mass2180.285 Da
  • Monoisotopic mass2178.985840 Da
  • ChemSpider ID10482069
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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128270-60-0 [RN]
Angiomax [Trade name]
Angiox [Trade name]
bivalirudine [French]
bivalirudinum [Latin] [INN]
D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-α-asparagyl-L-phenylalanyl-L-α-glutamyl-L-α-glutamyl-L-isoleucyl-L-prolyl-L-α-glutamyl-L-α- glutamyl-L-tyrosyl-L-leucin [German] [ACD/IUPAC Name]
D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-α-aspartyl-L-phenylalanyl-L-α-glutamyl-L-α-glutamyl-L-isoleucyl-L-prolyl-L-α-glutamyl-L-α-g lutamyl-L-tyrosyl-L-leucine [ACD/IUPAC Name]
D-Phénylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-α-aspartyl-L-phénylalanyl-L-α-glutamyl-L-α-glutamyl-L-isoleucyl-L-prolyl-L-α-glutamyl-L-α-g lutamyl-L-tyrosyl-L-leucine [French] [ACD/IUPAC Name]
D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-α-aspartyl-L-phenylalanyl-L-α-glutamyl-L-α-glutamyl-L-isoleucyl-L-prolyl-L-α-glutamyl-L-α-glutamyl-L-tyrosyl-L-leucine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BG 8967 [DBID]
  • Miscellaneous
    • Chemical Class:

      A synthetic peptide of 20 amino acids, comprising <stereo>D</stereo>-Phe, Pro, Arg, Pro, Gly, Gly, Gly, Gly, Asn, Gly, Asp, Phe, Glu, Glu, Ile, Pro, Glu, Glu, Tyr, and Leu in sequence. A congener of h irudin (a naturally occurring drug found in the saliva of the medicinal leech), it a specific and reversible inhibitor of thrombin, and is used as an anticoagulant. ChEBI CHEBI:59173
    • Drug Status:

      approved BIONET-Key Organics HS-2004

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: 1.675
Molar Refractivity: 537.8±0.5 cm3
#H bond acceptors: 57
#H bond donors: 31
#Freely Rotating Bonds: 67
#Rule of 5 Violations: 3
ACD/LogP: -2.24
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: 902 Å2
Polarizability: 213.2±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 1431.3±7.0 cm3

Click to predict properties on the Chemicalize site





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