Ethyl 2-[[(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate Oxalate - CAS 1402149-98-7
Catalog: |
BB066111 |
Product Name: |
Ethyl 2-[[(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate Oxalate |
CAS: |
1402149-98-7 |
Synonyms: |
Ethyl 2-(((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)acetate oxalate; ethyl 2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate; oxalic acid |
IUPAC Name: | ethyl 2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetateoxalic acid |
Molecular Weight: | 259.30 + 90.03 |
Molecular Formula: | C12H21NO5·C2H2O4 |
Canonical SMILES: | CCOC(=O)COC1CC(C2C1OC(O2)(C)C)N.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C12H21NO5.C2H2O4/c1-4-15-9(14)6-16-8-5-7(13)10-11(8)18-12(2,3)17-103-1(4)2(5)6/h7-8,10-11H,4-6,13H2,1-3H3(H,3,4)(H,5,6)/t7-,8+,10+,11-/m1./s1 |
InChI Key: | CPUUHMGQFFBUMG-GGTINJKKSA-N |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 349.13728131 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 349.13728131 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 155Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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