tert-Butyl (4R,5R)-4-(Hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate - CAS 1009092-91-4
Catalog: |
BB055438 |
Product Name: |
tert-Butyl (4R,5R)-4-(Hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate |
CAS: |
1009092-91-4 |
Synonyms: |
(4R,5R)-4-(Hydroxymethyl)-2,2-dimethyl-5-phenyl-3-oxazolidinecarboxylic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate |
Molecular Weight: | 307.38 |
Molecular Formula: | C17H25NO4 |
Canonical SMILES: | CC1(N(C(C(O1)C2=CC=CC=C2)CO)C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C17H25NO4/c1-16(2,3)22-15(20)18-13(11-19)14(21-17(18,4)5)12-9-7-6-8-10-12/h6-10,13-14,19H,11H2,1-5H3 |
InChI Key: | LBTFCAQHUDISGT-UHFFFAOYSA-N |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.17835828 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.17835828 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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