(-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate - CAS 68539-16-2
Catalog: |
BB033577 |
Product Name: |
(-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate |
CAS: |
68539-16-2 |
Synonyms: |
2,3:4,6-Di-o-isopropylidene-2-keto-L-gulonic acid monohydrate; Dikegulac monohydrate |
Related CAS: | 60481-94-9
|
IUPAC Name: | (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid;hydrate |
Description: | (-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate is a useful research chemical. |
Molecular Weight: | 292.28 |
Molecular Formula: | C12H20O8 |
Canonical SMILES: | CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C.O |
InChI: | InChI=1S/C12H18O7.H2O/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);1H2/t6-,7+,8-,12+;/m0./s1 |
InChI Key: | ZFQRGFMVXLSLKZ-QCILGFJPSA-N |
MDL: | MFCD00150517 |
LogP: | 0.40480 |
Publication Number | Title | Priority Date |
CA-3072309-A1 | Trans-isomeric heterocyclic compounds and preparation thereof | 20170811 |
CN-110573495-A | Trans-isomeric heterocyclic compounds and process for preparing same | 20170811 |
TW-201910313-A | Trans-isomeric heterocyclic compound and preparation method thereof | 20170811 |
US-10377714-B2 | Trans-isomeric heterocyclic compounds and preparation thereof | 20170811 |
US-2019047956-A1 | Trans-isomeric heterocyclic compounds and preparation thereof | 20170811 |
Complexity: | 418 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.11581759 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.11581759 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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