P8E
Summary
| Name: | 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid |
| Formula: | C9 H18 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 250.249 Da |
| Component type: | L-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{S},5~{S},6~{S})-5-azanyl-6-[(1~{S},2~{S})-1-azanyl-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | ZFZFJUIKYIVPNP-YXGHPGITSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@H](N)[C@@H]1O[C@@](O)(C[C@H](O)[C@@H]1N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O |
