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Diamino Biotin

CAT: 0024-sc-391399DSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-391399DSize:50 mg
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CAS Number
22342-46-7

Chemical Information

Diaminobiotin

structure in first source

CAS Number22342-46-7
PubChem CID1563331
IUPAC Name5-[(2S,3S,4R)-3,4-diaminothiolan-2-yl]pentanoic acid
Molecular FormulaC9H18N2O2S
Molecular Weight218.32
XLogP-2.7
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity201
SMILES
C1[C@@H]([C@@H]([C@@H](S1)CCCCC(=O)O)N)N
InChI
InChI=1S/C9H18N2O2S/c10-6-5-14-7(9(6)11)3-1-2-4-8(12)13/h6-7,9H,1-5,10-11H2,(H,12,13)/t6-,7-,9-/m0/s1
InChIKey
JKNCSZDPWAVQAI-ZKWXMUAHSA-N
Chemical Structure
2D Structure
2D structure of Diaminobiotin
CAS: 22342-46-7
CID: 1563331
Formula: C9H18N2O2S
MW: 218.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.32
XLogP3-2.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass218.10889899
Monoisotopic Mass218.10889899
Topological Polar Surface Area115 Ų
Heavy Atom Count14
Formal Charge0
Complexity201
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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