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DL-Penicillamine

CAT: 0572-TRC-P223010-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P223010-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52-66-4
Synonyms
3-Mercapto-DL-valine; (±)-Penicillamine; 2-Amino-3-mercapto-3-methylbutyric Acid; 3,3-Dimethylcysteine; DL-3-Mercaptovaline; DL-beta-Mercaptovaline; DMC; NSC 22880; NSC 44656; dl-DMC; beta,beta-Dimethylcysteine; beta-Mercaptovaline; beta-Thiovaline
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)(S)C(N)C(=O)O
Molecular Formula
C5H11NO2S
Molecular Weight
149.21
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(+-)-Penicillamine

Penicillamine is an alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. It is a thiol and a non-proteinogenic alpha-amino acid.

CAS Number52-66-4
PubChem CID4727
IUPAC Name2-amino-3-methyl-3-sulfanylbutanoic acid
Molecular FormulaC5H11NO2S
Molecular Weight149.21
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
CC(C)(C(C(=O)O)N)S
InChI
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
InChIKey
VVNCNSJFMMFHPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Penicillamine
CAS: 52-66-4
CID: 4727
Formula: C5H11NO2S
MW: 149.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.21
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass149.05104977
Monoisotopic Mass149.05104977
Topological Polar Surface Area64.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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