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Triethyl Phosphate-d15

CAT: 0572-TRC-T776952-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T776952-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135942-11-9
Hazard Statement
Harmful if swallowed
Purity
>95% (GC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])OP(=O)(OC([2H])([2H])C([2H])([2H])[2H])OC([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C6 D15 O4 P
Molecular Weight
197.25
InChI
InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2
Additionnal Information
IUPAC name: tris(1,1,2,2,2-pentadeuterioethyl) phosphate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Triethyl-D15-phosphate
CAS Number135942-11-9
PubChem CID71309788
IUPAC Nametris(1,1,2,2,2-pentadeuterioethyl) phosphate
Molecular FormulaC6H15O4P
Molecular Weight197.25
XLogP0.8
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity113
SMILES
[2H]C([2H])([2H])C([2H])([2H])OP(=O)(OC([2H])([2H])C([2H])([2H])[2H])OC([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2
InChIKey
DQWPFSLDHJDLRL-NLBPYYKNSA-N
Chemical Structure
2D Structure
2D structure of Triethyl-D15-phosphate
CAS: 135942-11-9
CID: 71309788
Formula: C6H15O4P
MW: 197.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.25
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass197.16494714
Monoisotopic Mass197.16494714
Topological Polar Surface Area44.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity113
Isotope Atom Count15
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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