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Penicillamine EP Impurity A

CAT: 1299-RM-P050301-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P050301-01Size:10 mg
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CAS Number
20902-45-8
Synonyms
(2S,2'S) -3,3'-disulfanediylbis (2-amino-3-methylbutanoic acid)
Molecular Formula
C10H20N2O4S2
Molecular Weight
296.41
Target Alternative Name
Penicillamine
Product Name Synonym
(2S,2'S) -3,3'-disulfanediylbis (2-amino-3-methylbutanoic acid)

Chemical Information

D-Penicillamine disulfide

D-penicillamine disulfide is an organic disulfide consisting of two D-penicillamines joined by a disulfide bond. It is a sulfur-containing amino acid, an organic disulfide and a D-valine derivative.

CAS Number20902-45-8
PubChem CID9882671
IUPAC Name(2S)-2-amino-3-[[(1S)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
Molecular FormulaC10H20N2O4S2
Molecular Weight296.4
XLogP-5
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity302
SMILES
CC(C)([C@H](C(=O)O)N)SSC(C)(C)[C@H](C(=O)O)N
InChI
InChI=1S/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKey
POYPKGFSZHXASD-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of D-Penicillamine disulfide
CAS: 20902-45-8
CID: 9882671
Formula: C10H20N2O4S2
MW: 296.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP3-5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass296.08644947
Monoisotopic Mass296.08644947
Topological Polar Surface Area177 Ų
Heavy Atom Count18
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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