M07
Summary
| Name: | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-3-(4-METHOXYPHENYL)-1,6-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL |
| Synonyms: | (1R)-3'-(4-METHOXYPHENYL)-SPIRO[1,5-ANHYDRO-D-GLUCITOL-1,5'-ISOXAZOLINE] |
| Formula: | C15 H19 N O7 |
| Formal charge: | 0 |
| Formula weight: | 325.314 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol |
| OpenEye OEToolkits | 1.5.0 | (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-(4-methoxyphenyl)-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N=2OC1(OC(C(O)C(O)C1O)CO)CC=2c3ccc(OC)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)C2=NO[C@@]3(C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)C2=NO[C]3(C2)O[CH](CO)[CH](O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)C2=NOC3(C2)C(C(C(C(O3)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H19NO7/c1-21-9-4-2-8(3-5-9)10-6-15(23-16-10)14(20)13(19)12(18)11(7-17)22-15/h2-5,11-14,17-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | SCPKUJWXPVROSY-UXXRCYHCSA-N |
