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DL-Cysteine-3,3-d2

CAT: 0572-TRC-C995016-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C995016-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124051-54-3
Synonyms
Cysteine-3,3-d2
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(S)C(N)C(=O)O
Molecular Formula
C3 D2 H5 NO2 S
Molecular Weight
123.17
InChI
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i1D2
Additionnal Information
IUPAC name: 2-amino-3,3-dideuterio-3-sulfanyl-propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

DL-Cysteine-3,3-d2
CAS Number124051-54-3
PubChem CID12219650
IUPAC Name2-amino-3,3-dideuterio-3-sulfanylpropanoic acid
Molecular FormulaC3H7NO2S
Molecular Weight123.17
XLogP-2.5
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity75
SMILES
[2H]C([2H])(C(C(=O)O)N)S
InChI
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i1D2
InChIKey
XUJNEKJLAYXESH-DICFDUPASA-N
Chemical Structure
2D Structure
2D structure of DL-Cysteine-3,3-d2
CAS: 124051-54-3
CID: 12219650
Formula: C3H7NO2S
MW: 123.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.17
XLogP3-2.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass123.03230313
Monoisotopic Mass123.03230313
Topological Polar Surface Area64.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity75.3
Isotope Atom Count2
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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