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Dencichine

CAT: 0127-BUP00381-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00381-02Size:10 mg
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CAS Number
5302-45-4
Synonyms
L-Dencichin, ODAP, Dencichin
Purity
=95%
Smiles
N[C@@H](CNC(=O)C(O)=O)C(O)=O

Chemical Information

Dencichine

N(3)-oxalyl-L-2,3-diaminopropionic acid is an Nbeta-acyl-L-2,3-diaminopropionic acid in which the acyl group is oxalyl. It is functionally related to a propionic acid. It is a conjugate acid of a N(3)-(carboxylatoformyl)-L-2,3-diaminopropionate(1-).

CAS Number5302-45-4
PubChem CID440259
IUPAC Name(2S)-2-amino-3-(oxaloamino)propanoic acid
Molecular FormulaC5H8N2O5
Molecular Weight176.13
XLogP-4.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity214
SMILES
C([C@@H](C(=O)O)N)NC(=O)C(=O)O
InChI
InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1
InChIKey
NEEQFPMRODQIKX-REOHCLBHSA-N
Chemical Structure
2D Structure
2D structure of Dencichine
CAS: 5302-45-4
CID: 440259
Formula: C5H8N2O5
MW: 176.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.13
XLogP3-4.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass176.04332136
Monoisotopic Mass176.04332136
Topological Polar Surface Area130 Ų
Heavy Atom Count12
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3608737-01dencichine
HY-N6030(Rac) -Dencichine

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