L-Menthol-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate - CAS 200396-20-9
Catalog: |
BB060342 |
Product Name: |
L-Menthol-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate |
CAS: |
200396-20-9 |
Synonyms: |
5-(Acetyloxy)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester |
IUPAC Name: | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-acetyloxy-1,3-oxathiolane-2-carboxylate |
Description: | An intermediate for the preparation of rac Lamivudine. |
Molecular Weight: | 330.44 |
Molecular Formula: | C16H26O5S |
Canonical SMILES: | CC1CCC(C(C1)OC(=O)C2OC(CS2)OC(=O)C)C(C)C |
InChI: | InChI=1S/C16H26O5S/c1-9(2)12-6-5-10(3)7-13(12)20-15(18)16-21-14(8-22-16)19-11(4)17/h9-10,12-14,16H,5-8H2,1-4H3/t10-,12+,13-,14?,16?/m1/s1 |
InChI Key: | JYUPOLQFLIRYEQ-UHKOUBLRSA-N |
Melting Point: | 61-66°C |
Solubility: | Chloroform, Ethyl Acetate (Slightly) |
Appearance: | Pale Pink Solid |
Storage: | Refrigerator |
Complexity: | 411 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.1500951 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.1500951 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 87.1Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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