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D-(-)-Asparagine Monohydrate

CAT: 0572-TRC-A780125-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A780125-250MGSize:250 mg
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CAS Number
5794-24-1
Hazard Statement
No Data Available
Smiles
O.N[C@H](CC(=O)N)C(=O)O
Molecular Formula
C4H8N2O3 . H2O
Molecular Weight
150.13
Shipping Conditions
Room Temperature

Chemical Information

D-Asparagine hydrate

See also: D-Asparagine (annotation moved to).

CAS Number5794-24-1
PubChem CID16211197
IUPAC Name(2R)-2,4-diamino-4-oxobutanoic acid;hydrate
Molecular FormulaC4H10N2O4
Molecular Weight150.13
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity134
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-;/m1./s1
InChIKey
RBMGJIZCEWRQES-HSHFZTNMSA-N
Chemical Structure
2D Structure
2D structure of D-Asparagine hydrate
CAS: 5794-24-1
CID: 16211197
Formula: C4H10N2O4
MW: 150.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight150.13
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass150.06405680
Monoisotopic Mass150.06405680
Topological Polar Surface Area107 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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