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3,3',3''-Phosphinetriyltripropanoic acid

CAT: 0127-OR1074931-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1074931-01Size:100 mg
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CAS Number
5961-85-3
MDL Number
MFCD12068446
Purity
0.5M in H2O
Smiles
O=C(O)CCP(CCC(O)=O)CCC(O)=O

Chemical Information

Tris(2-carboxyethyl)phosphine

TCEP is a tertiary phosphine in which phosphane is substituted with three 2-carboxyethyl groups. It is a commonly used reducing agent. It has a role as a reducing agent. It is a tricarboxylic acid and a phosphine derivative.

CAS Number5961-85-3
PubChem CID119411
IUPAC Name3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
Molecular FormulaC9H15O6P
Molecular Weight250.19
XLogP-1.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity222
SMILES
C(CP(CCC(=O)O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C9H15O6P/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)
InChIKey
PZBFGYYEXUXCOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tris(2-carboxyethyl)phosphine
CAS: 5961-85-3
CID: 119411
Formula: C9H15O6P
MW: 250.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.19
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass250.06062519
Monoisotopic Mass250.06062519
Topological Polar Surface Area112 Ų
Heavy Atom Count16
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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