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Biotin-XX hydrazide

CAT: 0024-sc-291990ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-291990ASize:5 mg
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CAS Number
211237-33-1

Chemical Information

Biotin-XX hydrazide

Biotin-xx hydrazide is a member of biotins.

CAS Number211237-33-1
PubChem CID16760313
IUPAC Name6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-(6-hydrazinyl-6-oxohexyl)hexanamide
Molecular FormulaC22H40N6O4S
Molecular Weight484.7
XLogP0
Topological Polar Surface Area180
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count33
Formal Charge0
Complexity650
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NN)NC(=O)N2
InChI
InChI=1S/C22H40N6O4S/c23-28-20(31)12-4-2-8-14-24-18(29)10-3-1-7-13-25-19(30)11-6-5-9-17-21-16(15-33-17)26-22(32)27-21/h16-17,21H,1-15,23H2,(H,24,29)(H,25,30)(H,28,31)(H2,26,27,32)/t16-,17-,21-/m0/s1
InChIKey
LOIYZIMLLRKKNS-FIKGOQFSSA-N
Chemical Structure
2D Structure
2D structure of Biotin-XX hydrazide
CAS: 211237-33-1
CID: 16760313
Formula: C22H40N6O4S
MW: 484.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight484.7
XLogP30
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass484.28317495
Monoisotopic Mass484.28317495
Topological Polar Surface Area180 Ų
Heavy Atom Count33
Formal Charge0
Complexity650
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