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Overview of CAS 155899-66-4

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4H-CYCLOPENTA-1,3-DIOXOL-4-OL, 6-AMINOTETRAHYDRO-2,2-DIMETHYL-, (3AR,4S,6R,6AS)-
PharmaCompass
4H-CYCLOPENTA-1,3-DIOXOL-4-OL, 6-AMINOTETRAHYDRO-2,2-DIMETHYL-, (3AR,4S,6R,6AS)-
Also known as: 155899-66-4, (3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ol, (3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-ol, Axpygrdxrlicky-jrtvqgfmsa-n, 220329-21-5, Amot0359
Molecular Formula
C8H15NO3
Molecular Weight
173.212  g/mol
InChI Key
AXPYGRDXRLICKY-JRTVQGFMSA-N

1 2D Structure

4H-CYCLOPENTA-1,3-DIOXOL-4-OL, 6-AMINOTETRAHYDRO-2,2-DIMETHYL-, (3AR,4S,6R,6AS)-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
2.1.2 InChI
InChI=1S/C8H15NO3/c1-8(2)11-6-4(9)3-5(10)7(6)12-8/h4-7,10H,3,9H2,1-2H3/t4-,5+,6+,7-/m1/s1
2.1.3 InChI Key
AXPYGRDXRLICKY-JRTVQGFMSA-N
2.1.4 Canonical SMILES
CC1(OC2C(CC(C2O1)O)N)C
2.1.5 Isomeric SMILES
CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)O)N)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 155899-66-4

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

3. (3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-ol

4. Axpygrdxrlicky-jrtvqgfmsa-n

5. 220329-21-5

6. Amot0359

7. Schembl1509195

8. Dtxsid10438496

9. 4h-cyclopenta-1,3-dioxol-4-ol, 6-aminotetrahydro-2,2-dimethyl-, (3ar,4s,6r,6as)-

10. Molport-027-836-737

11. Cs-m2377

12. An-012

13. Ca0020

14. Zinc38583212

15. Akos016011584

16. Acn-028496

17. Am85608

18. Ex-5979

19. Fch3904225

20. Pb13931

21. Sb15971

22. Aj-96742

23. Ak120868

24. As-39011

25. Sc-92570

26. Ab0078970

27. Ax8243935

28. St24034438

29. Q-101072

30. (3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-

31. (1beta)-3beta-amino-4alpha,5alpha-(isopropylidenedioxy)cyclopentanol

32. (3ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ol

33. (3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-4h-cyclopenta[d][1,3]dioxol-4-ol

34. (3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ol

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 173.212 g/mol
Molecular Formula C8H15NO3
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass173.105 g/mol
Monoisotopic Mass173.105 g/mol
Topological Polar Surface Area64.7 A^2
Heavy Atom Count12
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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