CAS 55094-52-5

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Also known as: 55094-52-5, 2,3,5-tri-o-benzyl-d-ribono-1,4-lactone, 2,3,5-tri-o-benzyl-d-ribonolactone, Remdesivir intermediate, (3r,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one, Mfcd08703966

Molecular Formula

C₂₆H₂₆O₅

Molecular Weight

418.5 g/mol

InChI Key

LDHBSABBBAUMCZ-UBFVSLLYSA-N

1 2D Structure

CAS 55094-52-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

2.1.2 InChI

InChI=1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25-/m1/s1

2.1.3 InChI Key

LDHBSABBBAUMCZ-UBFVSLLYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COCC2C(C(C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 55094-52-5

2. 2,3,5-tri-o-benzyl-d-ribono-1,4-lactone

3. 2,3,5-tri-o-benzyl-d-ribonolactone

4. Remdesivir Intermediate

5. (3r,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

6. Mfcd08703966

7. Remedesivir Intermediate

8. 2,3,5-tri-o-benzyl-d-ribonic Acid 1,4-lactone

9. Antincov Drug Intermediate

10. Anti-ncov Drug Intermediate

11. Schembl3304205

12. Dtxsid00451513

13. Ex-a3436

14. Zb1791

15. Zinc44171241

16. Akos016002138

17. Cs-w019390

18. Ac-32444

19. Ds-17179

20. T3955

21. W10947

22. 094t525

23. 2,3,5-tri-o-benzyl-d-ribonic Acid-1,4-lactone

24. A870283

25. W-203078

26. 2-o,3-o,5-o-tribenzyl-d-ribonic Acid Gamma-lactone

27. Anticovid-19 Intermediate 2,3,5-tri-o-benzyl-d-ribonolactone

28. Anti-covid-19 Intermediate 2,3,5-tri-o-benzyl-d-ribonolactone

29. (3r,4r,5r)-3,4-bis(benzyloxy)-5-((benzyloxy)methyldihydrofuran-2(3h)-one

30. (3r,4r,5r)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-one (non-preferred Name)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₆O₅
Molecular Weight	418.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	418.17802393 g/mol
Monoisotopic Mass	418.17802393 g/mol
Topological Polar Surface Area	54 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	520
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1