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2D Structure
Also known as: 990-91-0, Tetrabenzyl diphosphate, Pyrophosphoric acid tetrabenzyl ester, Tetrabenzylpyrophosphate, Dibenzyl bis(phenylmethoxy)phosphoryl phosphate, Dibenzyl {[bis(benzyloxy)phosphoryl]oxy}phosphonate
Molecular Formula
C28H28O7P2
Molecular Weight
538.5  g/mol
InChI Key
NSBNXCZCLRBQTA-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dibenzyl bis(phenylmethoxy)phosphoryl phosphate
2.1.2 InChI
InChI=1S/C28H28O7P2/c29-36(31-21-25-13-5-1-6-14-25,32-22-26-15-7-2-8-16-26)35-37(30,33-23-27-17-9-3-10-18-27)34-24-28-19-11-4-12-20-28/h1-20H,21-24H2
2.1.3 InChI Key
NSBNXCZCLRBQTA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 990-91-0

2. Tetrabenzyl Diphosphate

3. Pyrophosphoric Acid Tetrabenzyl Ester

4. Tetrabenzylpyrophosphate

5. Dibenzyl Bis(phenylmethoxy)phosphoryl Phosphate

6. Dibenzyl {[bis(benzyloxy)phosphoryl]oxy}phosphonate

7. Diphosphoric Acid, Tetrakis(phenylmethyl) Ester

8. Mfcd00051941

9. Bis(phenylmethoxy)phosphoryl Bis(phenylmethyl) Phosphate;tetrabenzyl Yrophosphate;benzyl Pyrophosphate

10. Tetrabenzyldiphosphate

11. Tetra Benzyl Pyrophosphate

12. Tetrabenzyl Diphosphate #

13. Schembl79996

14. Tetrabenzyl Pyrophosphate, 98%

15. Amy7002

16. Dtxsid00340276

17. Diphosphoric Acid Tetrabenzyl Ester

18. Bcp21128

19. Zinc4352564

20. Bbl103528

21. Geo-04001

22. Stl557338

23. Akos005259907

24. Gs-0918

25. Sb40666

26. Ac-24369

27. Sy042570

28. Db-009823

29. Cs-0033819

30. Ft-0674935

31. P1223

32. 990t910

33. A847848

34. Dibenzyl [[bis-(benzyloxy)phosphoryl]oxy]phosphonate

35. 3-fluoro-4-cyanophenyltrans-4-(4-n-pentylcyclohexyl)-benzoate

36. Tetrabenzyl Diphosphate;tbpp;pyrophosphoric Acid Tetrabenzyl Ester

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 538.5 g/mol
Molecular Formula C28H28O7P2
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass538.13102722 g/mol
Monoisotopic Mass538.13102722 g/mol
Topological Polar Surface Area80.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1