4XR
Summary
| Name: | (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol |
| Formula: | C6 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 144.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol |
| OpenEye OEToolkits | 1.9.2 | (2S,3R)-6-(aminomethyl)-3-azanyl-3,4-dihydro-2H-pyran-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(N)CC=C(O1)CN |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O2/c7-3-4-1-2-5(8)6(9)10-4/h1,5-6,9H,2-3,7-8H2/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | GBOGEEQLPKNDRP-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC1=CC[C@@H](N)[C@@H](O)O1 |
| SMILES | CACTVS | 3.385 | NCC1=CC[CH](N)[CH](O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C=C(O[C@@H]([C@@H]1N)O)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C=C(OC(C1N)O)CN |
