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Biotin-d2

CAT: 0931-TMIJ-0373-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0373-02Size:5 mg
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CAS Number
1217481-41-8
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
Biotin-d2 is a deuterated compound of Biotin. Biotin has a CAS number of 58-85-5. Biotin is a water-soluble B-vitamin and is necessary for cell growth, the production of fatty acids, and the metabolism of fats and amino acids.
Smiles
S1[C@@H](CCCCC(O)=O)[C@@H]2[C@H](C1([2H])[2H])NC(N2)=O
Molecular Formula
C10H14D2N2O3S
Molecular Weight
246.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Biotin-d2-1
CAS Number1217481-41-8
PubChem CID60145986
IUPAC Name5-[(3aR,6S,6aS)-4,4-dideuterio-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid
Molecular FormulaC10H16N2O3S
Molecular Weight246.33
XLogP0.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity298
SMILES
[2H]C1([C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2)[2H]
InChI
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1/i5D2
InChIKey
YBJHBAHKTGYVGT-OXQHWPBHSA-N
Chemical Structure
2D Structure
2D structure of Biotin-d2-1
CAS: 1217481-41-8
CID: 60145986
Formula: C10H16N2O3S
MW: 246.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.33
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass246.10071704
Monoisotopic Mass246.10071704
Topological Polar Surface Area104 Ų
Heavy Atom Count16
Formal Charge0
Complexity298
Isotope Atom Count2
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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