H4P
Summary
Name: | 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL |
Formula: | C7 H19 N O11 P2 |
Formal charge: | 0 |
Formula weight: | 355.173 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1-deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-mannitol |
OpenEye OEToolkits | 1.5.0 | [[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl]amino]methylphosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)C(O)C(O)CNCP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CNC[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O |
SMILES | CACTVS | 3.341 | O[CH](CNC[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(C(COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C7H19NO11P2/c9-4(1-8-3-20(13,14)15)6(11)7(12)5(10)2-19-21(16,17)18/h4-12H,1-3H2,(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | YAEYOLVKVWEHNB-DBRKOABJSA-N |