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TCEP-d12 Hydrochloride

CAT: 0024-sc-220194Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-220194Size:1 mg
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CAS Number
1189959-10-1

Chemical Information

TCEP-d12 Hydrochloride
CAS Number1189959-10-1
PubChem CID46782980
IUPAC Name3-bis(2-carboxy-1,1,2,2-tetradeuterioethyl)phosphanyl-2,2,3,3-tetradeuteriopropanoic acid;hydrochloride
Molecular FormulaC9H16ClO6P
Molecular Weight298.72
Topological Polar Surface Area112
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count17
Formal Charge0
Complexity222
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])P(C([2H])([2H])C([2H])([2H])C(=O)O)C([2H])([2H])C([2H])([2H])C(=O)O.Cl
InChI
InChI=1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H/i1D2,2D2,3D2,4D2,5D2,6D2;
InChIKey
PBVAJRFEEOIAGW-XDVLEJMRSA-N
Chemical Structure
2D Structure
2D structure of TCEP-d12 Hydrochloride
CAS: 1189959-10-1
CID: 46782980
Formula: C9H16ClO6P
MW: 298.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.72
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass298.1126239
Monoisotopic Mass298.1126239
Topological Polar Surface Area112 Ų
Heavy Atom Count17
Formal Charge0
Complexity222
Isotope Atom Count12
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS6057922-01TCEP-d12 Hydrochloride
HY-W700621TCEP-d12 (hydrochloride)
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HY-W011500S-01TCEP-d16 (hydrochloride)
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