ZD1
Summary
| Name: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside |
| Formula: | C13 H23 N O9 |
| Formal charge: | 0 |
| Formula weight: | 337.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},4~{S},5~{S},6~{R})-4-azanyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)cyclohex-2-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC1=CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C13H23NO9/c14-5-1-4(2-15)12(10(20)7(5)17)23-13-11(21)9(19)8(18)6(3-16)22-13/h1,5-13,15-21H,2-3,14H2/t5-,6+,7-,8+,9-,10+,11+,12+,13+/m0/s1 |
| InChIKey | InChI | 1.03 | UINFOZNGFLXUEC-QHWKHWDXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | N[CH]1C=C(CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(C(C(C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)CO |
