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Triphenyl-d15 Phosphate

CAT: 0931-TMIJ-0399-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0399-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173020-30-8
Bioactivity
Triphenyl-d15 Phosphate is a deuterated compound of Triphenyl Phosphate. Triphenyl Phosphate has a CAS number of 115-86-6.
Smiles
[2H]C1C([2H])=C([2H])C(OP(OC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])(OC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])=O)=C([2H])C=1[2H]
Molecular Formula
C18D15O4P
Molecular Weight
341.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Triphenyl phosphate-d15
CAS Number1173020-30-8
PubChem CID71309050
IUPAC Nametris(2,3,4,5,6-pentadeuteriophenyl) phosphate
Molecular FormulaC18H15O4P
Molecular Weight341.4
XLogP4.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity325
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OP(=O)(OC2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])OC3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D
InChIKey
XZZNDPSIHUTMOC-KLHTYYPYSA-N
Chemical Structure
2D Structure
2D structure of Triphenyl phosphate-d15
CAS: 1173020-30-8
CID: 71309050
Formula: C18H15O4P
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass341.16494714
Monoisotopic Mass341.16494714
Topological Polar Surface Area44.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity325
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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