K12
Summary
Name: | 12-hydroxydodecyl dihydrogen phosphate |
Formula: | C12 H27 O5 P |
Formal charge: | 0 |
Formula weight: | 282.314 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 12-hydroxydodecyl dihydrogen phosphate |
OpenEye OEToolkits | 1.7.0 | 12-hydroxydodecyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(OCCCCCCCCCCCCO)(O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OCCCCCCCCCCCCO[P](O)(O)=O |
SMILES | CACTVS | 3.370 | OCCCCCCCCCCCCO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CCCCCCOP(=O)(O)O)CCCCCO |
SMILES | OpenEye OEToolkits | 1.7.0 | C(CCCCCCOP(=O)(O)O)CCCCCO |
InChI | InChI | 1.03 | InChI=1S/C12H27O5P/c13-11-9-7-5-3-1-2-4-6-8-10-12-17-18(14,15)16/h13H,1-12H2,(H2,14,15,16) |
InChIKey | InChI | 1.03 | QDHWEQVVRFFGKU-UHFFFAOYSA-N |