CAS 274693-53-7

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Also known as: 274693-53-7, Benzyl (3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ylcarbamate, Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]carbamate, Benzyl n-[(3ar,4s,6r,6as)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-6-yl]carbamate, N-[(3as,4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]carbamicacid phenylmethyl ester, Carbamicacid,n-[(3as,4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]-,phenylmethyl ester

Molecular Formula

C₁₆H₂₁NO₅

Molecular Weight

307.34 g/mol

InChI Key

VPICQZQITAJOQA-ZOBORPQBSA-N

1 2D Structure

CAS 274693-53-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl N-[(3aR,4S,6R,6aS)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate

2.1.2 InChI

InChI=1S/C16H21NO5/c1-16(2)21-13-11(8-12(18)14(13)22-16)17-15(19)20-9-10-6-4-3-5-7-10/h3-7,11-14,18H,8-9H2,1-2H3,(H,17,19)/t11-,12+,13+,14-/m1/s1

2.1.3 InChI Key

VPICQZQITAJOQA-ZOBORPQBSA-N

2.1.4 Canonical SMILES

CC1(OC2C(CC(C2O1)O)NC(=O)OCC3=CC=CC=C3)C

2.1.5 Isomeric SMILES

CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)O)NC(=O)OCC3=CC=CC=C3)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 274693-53-7

2. Benzyl (3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ylcarbamate

3. Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]carbamate

4. Benzyl N-[(3ar,4s,6r,6as)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-6-yl]carbamate

5. N-[(3as,4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]carbamicacid Phenylmethyl Ester

6. Carbamicacid,n-[(3as,4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]-,phenylmethyl Ester

7. Benzyl N-[(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate

8. [3as-(3aalpha,4alpha,6alpha,6aalpha)]- (tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl)carbamic Acid Phenylmethyl Ester

9. Benzyl (3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ylcarbamate

10. Ambz0383

11. Schembl10249662

12. Dtxsid70477487

13. Cs-m1243

14. Mfcd21362984

15. Zinc71257457

16. Akos016005436

17. Am85694

18. Ac-26975

19. Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-2h,3ah-cyclopenta[d][1,3]dioxol-4-yl]carbamate

20. Benzyl((3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)carbamate

21. Ds-18326

22. P20891

23. A846830

24. Benzyl (3 As,4r,6s,6ar)-6-hydroxy-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ylcarbamate

25. Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetra-hydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]carbamate

26. Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,31dioxol-4-yl]carbamate

27. N-[(1r,5s,6r,8s)-(8-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.3.0]octane-6-yl)]carbamic Acid Benzyl Ester

28. Phenylmethyl N-[(3as, 4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]-carbamate

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₁NO₅
Molecular Weight	307.34 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	307.14197277 g/mol
Monoisotopic Mass	307.14197277 g/mol
Topological Polar Surface Area	77 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1