VOG
Summary
Name: | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
Synonyms: | voglibose |
Formula: | C10 H21 N O7 |
Formal charge: | 0 |
Formula weight: | 267.276 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
OpenEye OEToolkits | 2.0.6 | (1~{S},2~{S},3~{R},4~{S},5~{S})-5-[1,3-bis(oxidanyl)propan-2-ylamino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO |
InChI | InChI | 1.03 | InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | FZNCGRZWXLXZSZ-CIQUZCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | OCC(CO)N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO |
SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO |