(4Z)-4-Deoxy-4-[2-(1,1-dimethylethoxy)-2-oxoethylidene]-2,3-O-(1-methylethylidene)-β-L-erythro-pentopyranoside Methyl Ether - CAS 131149-12-7
Catalog: |
BB068544 |
Product Name: |
(4Z)-4-Deoxy-4-[2-(1,1-dimethylethoxy)-2-oxoethylidene]-2,3-O-(1-methylethylidene)-β-L-erythro-pentopyranoside Methyl Ether |
CAS: |
131149-12-7 |
Synonyms: |
4H-1,3-Dioxolo[4,5-c]pyran, β-L-erythro-pentopyranoside deriv. |
IUPAC Name: | tert-butyl (2Z)-2-[(3aS,4S,7aS)-4-methoxy-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene]acetate |
Description: | (4Z)-4-Deoxy-4-[2-(1,1-dimethylethoxy)-2-oxoethylidene]-2,3-O-(1-methylethylidene)-β-L-erythro-pentopyranoside Methyl Ether is an intermediate in the synthesis of Neopatulin (N389860), a mycotoxic substance which is produced by Penicillium and Aspergillus species. |
Molecular Weight: | 300.35 |
Molecular Formula: | C15H24O6 |
Canonical SMILES: | CC1(OC2C(O1)C(=CC(=O)OC(C)(C)C)COC2OC)C |
InChI: | InChI=1S/C15H24O6/c1-14(2,3)19-10(16)7-9-8-18-13(17-6)12-11(9)20-15(4,5)21-12/h7,11-13H,8H2,1-6H3/b9-7-/t11-,12-,13-/m0/s1 |
InChI Key: | ZCHGBXVUOHZBJY-HIOCHFAQSA-N |
Solubility: | Chloroform, DCM |
Appearance: | Light Yellow Syrup |
References: | Bennett, M., et al. Synlett., 8, 455 (1990). |
Complexity: | 434 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 300.15728848 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.15728848 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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