1JJ
Summary
Name: | [(1S)-1-hydroxypropyl]phosphonic acid |
Formula: | C3 H9 O4 P |
Formal charge: | 0 |
Formula weight: | 140.075 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | [(1S)-1-hydroxypropyl]phosphonic acid |
OpenEye OEToolkits | 1.7.6 | [(1S)-1-oxidanylpropyl]phosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)C(O)CC |
InChI | InChI | 1.03 | InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | MVIJUJBSAAUHEM-VKHMYHEASA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC[C@@H](O)[P](O)(O)=O |
SMILES | CACTVS | 3.370 | CC[CH](O)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H](O)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(O)P(=O)(O)O |