1. chem960
  2. 72040-64-3
Names and Identifiers
  • 6-(5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoic acid
  • 6-Biotinamidohexanoic Acid
  • N-(+)-Biotinyl-6-aminohexanoic acid
  • (+) BIOTINYL-6-AMINOHEXANOIC ACID
  • (+)-Biotin-epsilon-aminocaproic acid
  • (+)-Biotin-LC
  • (+)-Biotinyl-6-aminohexanoic acid
  • 6-(5-((3AS,4S,6aR)-2-Oxohexahydro-1H-thieno-[3,4-d]imidazol-4-yl)pentanamido)hexanoic acid
  • 6-[(Biotinyl)amino]hexanoic acid
  • 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoic acid
  • Hexanoic acid,6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]a...
  • Hexanoic acid,6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-
  • N-Biotinylcaproic Acid
  • (+)-Biotin-ε-aminocaproic acid
  • 6-((Biotinoyl)amino)hexanoic acid
  • Biotin-X
  • N-(+)-Biotinyl-6-aminocaproic acid
  • N-Biotinyl-6-aminohexanoic Acid
  • N-(5-Carboxypentyl)biotinamide
  • E-AMINO BIOTINYL CAPROIC ACID
  • biotin caproic acid
  • 6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
  • 6-(5-((3AS,4S,6aR)-2-Oxohexahydro-1H-thieno-[3,4-d]imidazol-4-yl
  • 6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
  • CMUGHZFPFWNUQT-HUBLWGQQSA-N
  • Hexanoic acid,6-[[5-[(3as,4s,6ar)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-
  • DTXSID00332237
  • HY-101218
  • Biot-Acp(6)-OH
  • 72040-64-3
  • SCHEMBL383254
  • Biotin-LC
  • W-203623
  • B2433
  • 6-(Biotinylamino)caproic acid
  • MFCD00144853
  • N-(+)-Biotinyl-6-aminohexanoic acid, >=97.0% (HPLC)
  • BCP24999
  • AKOS016010225
  • PD007353
  • 6-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid
  • A866330
  • H10243
  • DS-3894
  • 6-biotinamidohexanoic acid
  • BH7
  • DB03139
  • Q27094083
  • 6-(5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoicacid
  • CS-0020994
  • NS00069962
  • MDL:MFCD00144853
  • InChIKey:CMUGHZFPFWNUQT-HUBLWGQQSA-N
  • Inchi:1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
  • SMILES:S1C([H])([H])[C@@]2([H])[C@@]([H])([C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])=O)N([H])C(N2[H])=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 357.5g/mol
  • Surface Charge: 0
  • XLogP3: 0.7
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 11
  • Monoisotopic Mass: 357.172228g/mol
  • Monoisotopic Mass: 357.172228g/mol
  • Topological Polar Surface Area: 133Ų
  • Heavy Atom Count: 24
  • Complexity: 461
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • LogP: 2.52190
  • PSA: 132.83000
  • Refractive Index: 1.532
  • Boiling Point: 721.3°C at 760 mmHg
  • Melting Point: 230°C(lit.)
  • Flash Point: 390°C
  • Color/Form: Pear l white
  • Stability/Shelf Life: Hygroscopic! Store Under Inert Atmosphere.
  • Density: 1.2
Security Information
  • WGK Germany:3
  • Safety Instruction:S22; S24/25
  • Dangerous goods sign: F F
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H302-H315-H319-H335
  • Warning Statement:P261-P305+P351+P338
  • Storage Condition:-20°C
  • Signal Word:Warning
  • FLUKA BRAND F CODES:10
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