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L-Penicillamine-d6

CAT: 0572-TRC-P223007-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P223007-250MGSize:250 mg
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CAS Number
1795786-79-6
Synonyms
(2R)-2-Amino-4,4,4-trideuterio-3-sulfanyl-3-(trideuteriomethyl)butanoic acid
Hazard Statement
No Data Available
Smiles
SC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[C@H](N)C(O)=O
Molecular Formula
C5H5D6NO2S
Molecular Weight
155.25
InChI
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/i1D3,2D3
Additionnal Information
IUPAC name: (R)-2-amino-3-mercapto-3-(methyl-d3)butanoic-4,4,4-d3 acid
Shipping Conditions
Room Temperature

Chemical Information

L-Penicillamine-d6
CAS Number1795786-79-6
PubChem CID71751484
IUPAC Name(2R)-2-amino-4,4,4-trideuterio-3-sulfanyl-3-(trideuteriomethyl)butanoic acid
Molecular FormulaC5H11NO2S
Molecular Weight155.25
XLogP-1.8
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity124
SMILES
[2H]C([2H])([2H])C([C@@H](C(=O)O)N)(C([2H])([2H])[2H])S
InChI
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1/i1D3,2D3
InChIKey
VVNCNSJFMMFHPL-CWJIZBONSA-N
Chemical Structure
2D Structure
2D structure of L-Penicillamine-d6
CAS: 1795786-79-6
CID: 71751484
Formula: C5H11NO2S
MW: 155.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.25
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass155.08871024
Monoisotopic Mass155.08871024
Topological Polar Surface Area64.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity124
Isotope Atom Count6
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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