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Dibenzyl Phenyl Phosphate

CAT: 0572-TRC-D418120-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D418120-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112507-48-9
Hazard Statement
No Data Available
Smiles
O=P(OCc1ccccc1)(OCc2ccccc2)Oc3ccccc3
Molecular Formula
C20 H19 O4 P
Molecular Weight
354.336
InChI
InChI=1S/C20H19O4P/c21-25(24-20-14-8-3-9-15-20,22-16-18-10-4-1-5-11-18)23-17-19-12-6-2-7-13-19/h1-15H,16-17H2
Additionnal Information
IUPAC name: dibenzyl phenyl phosphate
Shipping Conditions
Room Temperature

Chemical Information

Dibenzyl phenyl phosphate
CAS Number112507-48-9
PubChem CID10970267
IUPAC Namedibenzyl phenyl phosphate
Molecular FormulaC20H19O4P
Molecular Weight354.3
XLogP4.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity384
SMILES
C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C20H19O4P/c21-25(24-20-14-8-3-9-15-20,22-16-18-10-4-1-5-11-18)23-17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKey
FUDFVXRUESNVBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzyl phenyl phosphate
CAS: 112507-48-9
CID: 10970267
Formula: C20H19O4P
MW: 354.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.3
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass354.10209608
Monoisotopic Mass354.10209608
Topological Polar Surface Area44.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity384
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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