[(3aS,5R,6S,6aS)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl](morpholino)methanone - CAS 1103738-19-7
Catalog: |
BB002616 |
Product Name: |
[(3aS,5R,6S,6aS)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl](morpholino)methanone |
CAS: |
1103738-19-7 |
Synonyms: |
[(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-(4-morpholinyl)methanone; D-xylo-Pentodialdo-5,2-furanose, 4,5-O-(1-methylethylidene)-1-C-4-morpholinyl-, (5S)-; (5S)-4,5-O-(1-Methylethylidene)-1-C-4-morpholinyl-D-xylo-pentodialdo-5,2-furanose |
IUPAC Name: | [(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-morpholin-4-ylmethanone |
Molecular Weight: | 273.28 |
Molecular Formula: | C12H19NO6 |
Canonical SMILES: | CC1(OC2C(C(OC2O1)C(=O)N3CCOCC3)O)C |
InChI: | InChI=1S/C12H19NO6/c1-12(2)18-9-7(14)8(17-11(9)19-12)10(15)13-3-5-16-6-4-13/h7-9,11,14H,3-6H2,1-2H3/t7-,8-,9+,11+/m1/s1 |
InChI Key: | ZHDDJWFZDNKWIC-REIXXSIJSA-N |
Boiling Point: | 479.3±45.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.318±0.06 g/cm3 |
LogP: | -0.97960 |
Publication Number | Title | Priority Date |
US-2020255394-A1 | Crystalline solid forms of n-(1-((2-(dimethylamino)ethyl)amino)-2-methyl-1-oxopropan-2-yl)-4-(4-(2-methyl-5-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2h-pyran-2-yl)benzyl)phenyl)butanamide and methods of their synthesis | 20180926 |
US-10968192-B2 | Crystalline solid forms of N-(1-((2-(dimethylamino)ethyl)amino)-2-methyl-1-oxopropan-2-yl)-4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenyl)butanamide and methods of their synthesis | 20180926 |
US-10822365-B1 | SGLTS inhibitor and application thereof | 20180105 |
US-2020331950-A1 | Sglts inhibitor and application thereof | 20180105 |
KR-101770302-B1 | Method for preparing diphenylmethane derivatives | 20160628 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.12123733 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.12123733 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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