Close
4
pipeline-prospector-insert-v1
X

Overview

Client Email Product
CAS 179324-87-9
PharmaCompass
CAS 179324-87-9
Also known as: 179324-87-9, (r)-boroleu-(+)-pinanediol trifluoroacetate, (r)-boroleu-(+)-pinanediol-cf3cooh, (ar,3as,4s,6s,7ar)-hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluoroacetate, (r)-3-methyl-1-((3as,4s,6s,7ar)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butan-1-amine 2,2,2-trifluoroacetate, (r)-boroleu-(+)-pinanediol-cf3co2h
Molecular Formula
C17H29BF3NO4
Molecular Weight
379.227  g/mol
InChI Key
SRFQKJZNJYTMNI-CDVUYJLHSA-N

1 2D Structure

CAS 179324-87-9

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C15H28BNO2.C2HF3O2/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;3-2(4,5)1(6)7/h9-13H,6-8,17H2,1-5H3;(H,6,7)/t10-,11-,12+,13-,15-;/m0./s1
2.1.2 InChI Key
SRFQKJZNJYTMNI-CDVUYJLHSA-N
2.1.3 Canonical SMILES
B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)N.C(=O)(C(F)(F)F)O
2.1.4 Isomeric SMILES
B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)N.C(=O)(C(F)(F)F)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 179324-87-9

2. (r)-boroleu-(+)-pinanediol Trifluoroacetate

3. (r)-boroleu-(+)-pinanediol-cf3cooh

4. (ar,3as,4s,6s,7ar)-hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluoroacetate

5. (r)-3-methyl-1-((3as,4s,6s,7ar)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butan-1-amine 2,2,2-trifluoroacetate

6. (r)-boroleu-(+)-pinanediol-cf3co2h

7. Ak-44948

8. (1r)-(s)-pinanediol 1-ammonium Trifluoroacetate-3-methylbutane-1-boronate

9. (1r)-3-methyl-1-[(1s,2s,6r,8s)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0(2),?]decan-4-yl]butan-1-amine; Trifluoroacetic Acid

10. Pubchem11602

11. Ks-00000lax

12. Dtxsid00658025

13. (1r)-(s)-pinanediol 1-amino-3-methylbutane-1-boronate Trifluoroacetate, 99%

14. C15h28bno2.c2hf3o2

15. Molport-023-219-436

16. Act03743

17. Zx-rl003548

18. Mfcd10566030

19. Akos015896703

20. Ac-2355

21. Bs-2025

22. Cs-w019140

23. Rl02289

24. An-14069

25. Bc678968

26. Pc200351

27. Ab0009957

28. Ax8043663

29. St2414489

30. (r)-boroleu-(+)-pinanediol-trifluoroacetate

31. Bg01091535

32. Ft-0603990

33. M-9817

34. 324p879

35. I06-2263

36. Q-102518

37. (1r)-(s)-pinanediol-1-ammoniumtrifluoroacetate-3-methylbutane-1-boronate

38. (r)-boroleucine-(1s,2s,3r,5s)-(+)-pinanediol Ester Trifluoroacetate

39. (

40. Ar)-(1s,2s,3r,5s)-pinanediol-1-amino-3-methylbutane-1-boronate Trifluoroacetate

41. (r)-boroleu-(+)-pinanediol Trifluoroacetate; (r)-boroleu-(+)-pinanediol-cf3cooh

42. (

43. Ar,3as,4s,6s,7ar)-hexahydro-3a,5,5-trimethyl-

44. A-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluoroacetate

45. (1r)-1-[(1s,2s,6r,8s)-1,8-dihydrogenio-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3-methylbutan-1-amine; Trifluoroacetic Acid

46. (1r)-3-methyl-1-[(1s,2s,6r,8s)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0?,?]decan-4-yl]butan-1-amine; Trifluoroacetic Acid

47. (1r)-3-methyl-1-[(1s,2s,6r,8s)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]butan-1-amine; Trifluoroacetic Acid

48. (ar,3as,4s,6s,7ar)-hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluor Oacetate

49. Trifluoroacetic Acid--(1r)-3-methyl-1-[(3as,4s,6s,7ar)-3a,5,5-trimethylhexahydro-2h-4,6-methano-1,3,2-benzodioxaborol-2-yl]butan-1-amine (1/1)

2.3 Create Date
2009-11-02
3 Chemical and Physical Properties
Molecular Weight 379.227 g/mol
Molecular Formula C17H29BF3NO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass379.214 g/mol
Monoisotopic Mass379.214 g/mol
Topological Polar Surface Area81.8 A^2
Heavy Atom Count26
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us