1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane - CAS 62457-35-6
Catalog: |
BB057560 |
Product Name: |
1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane |
CAS: |
62457-35-6 |
Synonyms: |
2-(2,3-Dihydroxypropyl)-1H-Isoindole-1,3(2H)-dione |
IUPAC Name: | 2-(2,3-dihydroxypropyl)isoindole-1,3-dione |
Description: | 1-(3,4,5,6-Tetrahydrophthalimido)-2,3-dihydroxypropane is used in the preparation of carbapenem compounds as antibacterials. |
Molecular Weight: | 221.21 |
Molecular Formula: | C11H11NO4 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CO)O |
InChI: | InChI=1S/C11H11NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,7,13-14H,5-6H2 |
InChI Key: | GUUVCKWUQHAMTB-UHFFFAOYSA-N |
Melting Point: | 110-115°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Inert atmosphere |
References: | Miwa, T., et al. PCT Int. Appl., 1996:625489 (1996). |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06880783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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