25W
Summary
Name: | (1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol |
Formula: | C6 H13 N O4 |
Formal charge: | 0 |
Formula weight: | 163.172 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol |
OpenEye OEToolkits | 1.7.6 | (1R,2S,3S,4R,5S)-5-azanylcyclohexane-1,2,3,4-tetrol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1CC(N)C(O)C(O)C1O |
InChI | InChI | 1.03 | InChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6-/m0/s1 |
InChIKey | InChI | 1.03 | QXQNRSUOYNMXDL-KGJVWPDLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(C(C1O)O)O)O)N |