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Biotin (R) -Sulfoxide

CAT: 1299-RM-B091511-01Size: 10 mgDry Ice: NoHazardous: No
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CAS Number
3376-83-8
Synonyms
5- ((3aS,4S,5R,6aR) -5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl) pentanoic acid
Molecular Formula
C10H16N2O4S
Molecular Weight
260.31
Target Alternative Name
Biotin
Product Name Synonym
5- ((3aS,4S,5R,6aR) -5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl) pentanoic acid

Chemical Information

Biotin sulfoxide

Biotin sulfoxide is a sulfoxide that is the S-oxide of biotin. It has a role as a metabolite. It is a sulfoxide and a member of biotins. It is a conjugate acid of a biotinate sulfoxide(1-).

CAS Number3376-83-8
PubChem CID83833
IUPAC Name5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular FormulaC10H16N2O4S
Molecular Weight260.31
XLogP-1.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity360
SMILES
C1[C@H]2[C@@H]([C@@H](S1=O)CCCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17?/m0/s1
InChIKey
KCSKCIQYNAOBNQ-YBSFLMRUSA-N
Chemical Structure
2D Structure
2D structure of Biotin sulfoxide
CAS: 3376-83-8
CID: 83833
Formula: C10H16N2O4S
MW: 260.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.31
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass260.08307817
Monoisotopic Mass260.08307817
Topological Polar Surface Area115 Ų
Heavy Atom Count17
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FB64037-01(-) -Biotin sulfoxide
TRC-B389045-10MG(-)-Biotin Sulfoxide
FB64038-01(+) -Biotin sulfoxide
CS-T-49116(+) -Biotin (+) -Sulfoxide
HY-W129869-01Biotin sulfoxide
TRC-B389050-100MG(+)-Biotin (+)-Sulfoxide
HY-172008-01(±) -Biotin sulfoxide
HY-W587506-01Biotin-d-sulfoxide
T36137-01Biotin (S) -sulfoxide
GTR19191556-01Biotin (R) -Sulfoxide

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