| CAS Number | 889453-78-5 |
| Catalog Number | AG003LOB(AGN-PC-0VO8FX) |
| Chemical Name | 4-Methoxyphenyl 3-O-Allyl-2-azido-4,6-O-benzylidene-2-deoxy-beta-D-glucopyranoside |
| IUPAC Name | (4aR,6S,7R,8R,8aS)-7-azido-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine |
| InChI | InChI=1S/C23H25N3O6/c1-3-13-28-21-19(25-26-24)23(30-17-11-9-16(27-2)10-12-17)31-18-14-29-22(32-20(18)21)15-7-5-4-6-8-15/h3-12,18-23H,1,13-14H2,2H3/t18-,19-,20-,21-,22?,23-/m1/s1 |
| InChI Key | TYEQNJAZZVSANI-NUVHBUHMSA-N |
| MDL Number | MFCD06797147 |
| Molecular Formula | C23H25N3O6 |
| Molecular Weight | 439.4611 |
| SMILES | COC1=CC=C(O[C@@H]2O[C@@H]3COC(O[C@H]3[C@H](OCC=C)[C@H]2N=[N+]=[N-])C2=CC=CC=C2)C=C1 |
| Synonyms | 4-Methoxyphenyl 3-O-allyl-2-azido-4,6-O-benzylidene-2-deoxy-b-D-glucopyranoside,
889453-78-5,
TR-002660,
W-204011,
5-Bromo-4-chloro-3-indolyl |A-D-glucuronide cyclohexylammonium salt,
4-Methoxyphenyl 3-O-Allyl-2-azido-4,6-O-benzylidene-2-deoxy-beta-D-glucopyranoside,
4-METHOXYPHENYL3-O-ALLYL-2-AZIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSIDE,
114162-64-0,
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| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 439.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 439.468g/mol |
| Monoisotopic Mass | 439.174g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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