1,2,3,4-Tetra-O-acetyl-6-chloro-6-deoxy-α-D-glucopyranose - CAS 35816-31-0
Catalog: |
BB076722 |
Product Name: |
1,2,3,4-Tetra-O-acetyl-6-chloro-6-deoxy-α-D-glucopyranose |
CAS: |
35816-31-0 |
Synonyms: |
6-Chloro-6-deoxy-α-D-glucopyranose 1,2,3,4-Tetraacetate; 6-Chloro-6-deoxy-α-D-glucopyranose Tetraacetate |
IUPAC Name: | [(2S,3S,4S,5R,6R)-4,5,6-triacetyloxy-2-(chloromethyl)oxan-3-yl] acetate |
Description: | 1,2,3,4-Tetra-O-acetyl-6-chloro-6-deoxy-α-D-glucopyranose is an intermediate in the synthesis of 6-Chloro-6-deoxy-α-D-glucopyranose (C367760), a reactant used to produce carbohydrate based antidiabetic drugs. |
Molecular Weight: | 366.75 |
Molecular Formula: | C14H19ClO9 |
Canonical SMILES: | CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CCl |
InChI: | InChI=1S/C14H19ClO9/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1 |
InChI Key: | NABBGXLHIWQTIZ-RGDJUOJXSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | White Solid |
References: | Ren, Y., et. al. J. Med. Chem., 49, 2829 (2006). |
Complexity: | 507 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 5 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 366.0717599 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 366.0717599 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 114Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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