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CAS 155899-66-4 manufacturers and suppliers on PharmaCompass

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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-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-ol, (3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ol, 1265919-27-4, (3ar,4s,6r,6as)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-ol, Mfcd20527303
Molecular Formula
C8H15NO3
Molecular Weight
173.21  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-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-ol

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

4. 1265919-27-4

5. (3ar,4s,6r,6as)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-ol

6. Mfcd20527303

7. Amot0359

8. Schembl1509195

9. Dtxsid10438496

10. Cs-m2377

11. Zinc38583212

12. Akos016011584

13. Am85608

14. Ex-5979

15. 4h-cyclopenta-1,3-dioxol-4-ol, 6-aminotetrahydro-2,2-dimethyl-, (3ar,4s,6r,6as)-

16. As-39011

17. A850993

18. Q-101072

19. (1beta)-3beta-amino-4alpha,5alpha-(isopropylidenedioxy)cyclopentanol

20. (3ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ol

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 173.21 g/mol
Molecular Formula C8H15NO3
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass173.10519334 g/mol
Monoisotopic Mass173.10519334 g/mol
Topological Polar Surface Area64.7 Ų
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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