| CAS Number | 76375-62-7 |
| Catalog Number | AG0055KD(AGN-PC-0U9O8H) |
| Chemical Name | Asperlactone |
| IUPAC Name | (2R)-2-[(1S)-1-hydroxyethyl]-4-[(2S,3S)-3-methyloxiran-2-yl]-2H-furan-5-one |
| InChI | InChI=1S/C9H12O4/c1-4(10)7-3-6(9(11)13-7)8-5(2)12-8/h3-5,7-8,10H,1-2H3/t4-,5-,7+,8+/m0/s1 |
| InChI Key | VMLNPJDEXLLCQG-DGCAKLBHSA-N |
| MDL Number | MFCD14635420 |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.1892 |
| SMILES | O=C1C([C@@H]2O[C@H]2C)=C[C@@]([C@H](C)O)([H])O1 |
| Synonyms | Asperlactone,
76375-62-7,
2(5H)-Furanone, 5-((1S)-1-hydroxyethyl)-3-((2S,3S)-3-methyloxiranyl)-, (5R)-,
AC1L4GNK,
CTK8F7843,
DTXSID00227215,
ZINC6066875,
(2R)-2-[(1S)-1-hydroxyethyl]-4-[(2S,3S)-3-methyloxiran-2-yl]-2H-furan-5-one,
CID156698,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.191g/mol |
| Monoisotopic Mass | 184.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number