DL-Valine-d8

CAT: 0024-sc-227945Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227945Size:0.5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

203784-63-8

Chemical Information

DL-Valine-d8

CAS Number	203784-63-8
PubChem CID	13000940
IUPAC Name	2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoic acid
Molecular Formula	C5H11NO2
Molecular Weight	125.20
XLogP	-2.3
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	90

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)O)N

InChI

InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i1D3,2D3,3D,4D

InChIKey

KZSNJWFQEVHDMF-PIODKIDGSA-N

Chemical Structure

2D Structure

CAS: 203784-63-8

CID: 13000940

Formula: C5H11NO2

MW: 125.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.20
XLogP3	-2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	125.129192561
Monoisotopic Mass	125.129192561
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	90.4
Isotope Atom Count	8
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