DL-Histidine-2,3,3-d3

CAT: 1596-AR-H07595-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-H07595-01Size:10 Units

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CAS Number

344299-50-9

Molecular Formula

C6H6D3N3O2

Molecular Weight

158.18

API Name

Histidine

Chemical Information

DL-Histidine-alpha,beta,beta-D3

CAS Number	344299-50-9
PubChem CID	90472119
IUPAC Name	2-amino-2,3,3-trideuterio-3-(1H-imidazol-5-yl)propanoic acid
Molecular Formula	C6H9N3O2
Molecular Weight	158.17
XLogP	-3.2
Topological Polar Surface Area	92
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

[2H]C([2H])(C1=CN=CN1)C([2H])(C(=O)O)N

InChI

InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i1D2,5D

InChIKey

HNDVDQJCIGZPNO-WSWICNJZSA-N

Chemical Structure

2D Structure

CAS: 344299-50-9

CID: 90472119

Formula: C6H9N3O2

MW: 158.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.17
XLogP3	-3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	158.088306776
Monoisotopic Mass	158.088306776
Topological Polar Surface Area	92 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TMIH-0196-01	DL-Histidine-d3
DE2090	DL-Serine-2,3,3-D3
TRC-M159513-10MG	DL-Malic Acid-2,3,3-d3
TRC-A788958-100MG	DL-Aspartic-2,3,3-d3 Acid
TRC-H591304-5MG	DL-Histidine-Alpha,Beta,Beta-d3
sc-234812	DL-Alanine-3,3,3-d3
457987-01	N-Acetyl-d3-DL-alanine-3,3,3-d3
HY-144354S-01	S-Benzyl-DL-cysteine-2,3,3-d3
sc-506263	DL-Phenyl-d5-alanine-2,3,3-d3
S211172	S-Sulfo-DL-cysteine-2,3,3-d3