L-Aspartic acid-13C4

CAT: 0127-OR1031623Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1031623Size:1 Each

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CAS Number

55443-54-4

Purity

98%

Smiles

O[13C]([13C@](N)([H])[13C]([H])([H])[13C](O)=O)=O

Chemical Information

L-(~13~C_4_)Aspartic acid

CAS Number	55443-54-4
PubChem CID	71310325
IUPAC Name	(2S)-2-amino(1,2,3,4-13C4)butanedioic acid
Molecular Formula	C4H7NO4
Molecular Weight	137.07
XLogP	-2.8
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	133

SMILES

[13CH2]([13C@@H]([13C](=O)O)N)[13C](=O)O

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/i1+1,2+1,3+1,4+1

InChIKey

CKLJMWTZIZZHCS-UVYXLFMMSA-N

Chemical Structure

2D Structure

CAS: 55443-54-4

CID: 71310325

Formula: C4H7NO4

MW: 137.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.07
XLogP3	-2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	137.05092705
Monoisotopic Mass	137.05092705
Topological Polar Surface Area	101 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	133
Isotope Atom Count	4
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP18743-01	L-Aspartic acid
BIA0705-01	L-Aspartic acid
OR1055988	L-Histidyl-L-aspartic acid
OR1030122-01	Benzoyl-L-Aspartic Acid
OR1035874	L-Aspartic acid ß-hydroxamate
BUP19107	Fmoc-L-aspartic acid
DE2083	L-Aspartic acid-D3
OR1030438-01	L-Aspartic Acid Sodium
OR1005462	L-Aspartic acid-15N
OR1031627	L-Aspartic acid-1,4-13C2

Catalog	Name
HY-N0666S4-01	L-Aspartic acid-13C4
TRC-A790213-10MG	L-Aspartic-13C4 Acid
HY-N0666S1-01	L-Aspartic acid-13C4,15N
TRC-A790215-10MG	L-Aspartic-13C4, 15N Acid
HY-N0666S5-01	L-Aspartic acid-13C4,15N, d3
AR-A07203-01	Lauroyl-L-Aspartic Acid (Dodecanoyl-L-Aspartic Acid)
MBS3842586-01	L-aspartic Acid