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DL-Homocystine

CAT: 1596-AR-C03932-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03932-01Size:10 Units
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CAS Number
462-10-2
Synonyms
4,4'-disulfanediylbis (2-aminobutanoic acid) ; Dl-homocystine
Molecular Formula
C8H16N2O4S2
Molecular Weight
268.36
API Name
Cystine

Chemical Information

Homocystine

Homocystine is an organic disulfide obtained by oxidative dimerisation of homocysteine. It has a role as a human metabolite. It is a tautomer of a homocystine zwitterion.

CAS Number462-10-2
PubChem CID10010
IUPAC Name2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid
Molecular FormulaC8H16N2O4S2
Molecular Weight268.4
XLogP-5.6
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity216
SMILES
C(CSSCCC(C(=O)O)N)C(C(=O)O)N
InChI
InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
InChIKey
ZTVZLYBCZNMWCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homocystine
CAS: 462-10-2
CID: 10010
Formula: C8H16N2O4S2
MW: 268.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.4
XLogP3-5.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass268.05514934
Monoisotopic Mass268.05514934
Topological Polar Surface Area177 Ų
Heavy Atom Count16
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes