L-Asparagine monohydrate

CAT: 0063-18373388-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0063-18373388-01Size:100 g

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CAS Number

5794-13-8

Chemical Information

L-Asparagine, monohydrate

See also: (2S)-2,4-diamino-4-oxobutanoic acid hydrate (annotation moved to).

CAS Number	5794-13-8
PubChem CID	170358
IUPAC Name	(2S)-2,4-diamino-4-oxobutanoic acid;hydrate
Molecular Formula	C4H10N2O4
Molecular Weight	150.13
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	134

SMILES

C([C@@H](C(=O)O)N)C(=O)N.O

InChI

InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1

InChIKey

RBMGJIZCEWRQES-DKWTVANSSA-N

Chemical Structure

2D Structure

CAS: 5794-13-8

CID: 170358

Formula: C4H10N2O4

MW: 150.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	150.13
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	150.06405680
Monoisotopic Mass	150.06405680
Topological Polar Surface Area	107 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes