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L-Aspartic Acid-d3

CAT: 0572-TRC-A790023-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A790023-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3842-25-9
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(C(=O)O)[C@]([2H])(N)C(=O)O
Molecular Formula
C4 2H3 H4 N O4
Molecular Weight
136.12
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D
Additionnal Information
IUPAC name: (2S)-2-amino-2,3,3-trideuteriobutanedioic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

L-Aspartic acid-2,3,3-d3
CAS Number3842-25-9
PubChem CID12308669
IUPAC Name(2S)-2-amino-2,3,3-trideuteriobutanedioic acid
Molecular FormulaC4H7NO4
Molecular Weight136.12
XLogP-2.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity133
SMILES
[2H][C@@](C(=O)O)(C([2H])([2H])C(=O)O)N
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D
InChIKey
CKLJMWTZIZZHCS-RBXBQAPRSA-N
Chemical Structure
2D Structure
2D structure of L-Aspartic acid-2,3,3-d3
CAS: 3842-25-9
CID: 12308669
Formula: C4H7NO4
MW: 136.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.12
XLogP3-2.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass136.05633794
Monoisotopic Mass136.05633794
Topological Polar Surface Area101 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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