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LC-LC(+)-Biotin

CAT: 0572-TRC-B395730-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B395730-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89889-51-0
Hazard Statement
No Data Available
Smiles
C(CCCC(NCCCCCC(NCCCCCC(O)=O)=O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H]
Molecular Formula
C22 H38 N4 O5 S
Molecular Weight
470.63
InChI
InChI=1S/C22H38N4O5S/c27-18(23-14-8-2-4-12-20(29)30)10-3-1-7-13-24-19(28)11-6-5-9-17-21-16(15-32-17)25-22(31)26-21/h16-17,21H,1-15H2,(H,23,27)(H,24,28)(H,29,30)(H2,25,26,31)/t16-,17-,21-/m0/s1
Additionnal Information
IUPAC name: 6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]hexanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Biotinylcaproylaminocaproic Acid
CAS Number89889-51-0
PubChem CID22851428
IUPAC Name6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]hexanoic acid
Molecular FormulaC22H38N4O5S
Molecular Weight470.6
XLogP1
Topological Polar Surface Area162
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count32
Formal Charge0
Complexity633
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C22H38N4O5S/c27-18(23-14-8-2-4-12-20(29)30)10-3-1-7-13-24-19(28)11-6-5-9-17-21-16(15-32-17)25-22(31)26-21/h16-17,21H,1-15H2,(H,23,27)(H,24,28)(H,29,30)(H2,25,26,31)/t16-,17-,21-/m0/s1
InChIKey
SRKRKWYAHKIBEW-FIKGOQFSSA-N
Chemical Structure
2D Structure
2D structure of N-Biotinylcaproylaminocaproic Acid
CAS: 89889-51-0
CID: 22851428
Formula: C22H38N4O5S
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass470.25629150
Monoisotopic Mass470.25629150
Topological Polar Surface Area162 Ų
Heavy Atom Count32
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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