CAS 176380-53-3

1 2D Structure

CAS 176380-53-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

9H-fluoren-9-ylmethyl N-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18-/m1/s1

2.1.3 InChI Key

YOKDHMTZJSRRIQ-KZULUSFZSA-N

2.1.4 Canonical SMILES

CC(C(CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O

2.1.5 Isomeric SMILES

C[C@H]([C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 176380-53-3

2. N-fmoc-l-threonol

3. Fmoc-thr-ol

4. Fmoc-l-threoninol

5. (9h-fluoren-9-yl)methyl ((2r,3r)-1,3-dihydroxybutan-2-yl)carbamate

6. (1r,2r)-(2-hydroxy-1-hydroxymethylpropyl)carbamic Acid 9h-fluoren-9-ylmethyl Ester

7. 9h-fluoren-9-ylmethyl N-[(2r,3r)-1,3-dihydroxybutan-2-yl]carbamate

8. N-fmoc-l-threoninol

9. Carbamic Acid, N-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9h-fluoren-9-ylmethyl Ester

10. Mfcd00270218

11. 9-fluorenylmethyloxycarbonyl-l-threoninol

12. N-(9-fluorenylmethoxycarbonyl)-threoninol

13. Schembl20371129

14. Dtxsid40427237

15. Amy22755

16. Akos015908605

17. Cs-w009863

18. Ds-13862

19. A26874

20. M03458

21. J-011184

22. 9h-fluoren-9-ylmethyl [(2r,3r)-1,3-dihydroxybutan-2-yl]carbamate;

23. (1r Pound Not2r)-(2-hydroxy-1-hydroxymethyl-propyl)-carbamic Acid 9h-fluoren-9-ylmethyl Ester

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₁NO₄
Molecular Weight	327.4 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	78.8
Heavy Atom Count	24
Formal Charge	0
Complexity	408
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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