OPE
Summary
Name: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER |
Synonyms: | COLAMINE PHOSPHORIC ACID |
Formula: | C2 H8 N O4 P |
Formal charge: | 0 |
Formula weight: | 141.063 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-aminoethyl dihydrogen phosphate |
OpenEye OEToolkits | 1.5.0 | 2-aminoethyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCCN |
SMILES_CANONICAL | CACTVS | 3.341 | NCCO[P](O)(O)=O |
SMILES | CACTVS | 3.341 | NCCO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(COP(=O)(O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C(COP(=O)(O)O)N |
InChI | InChI | 1.03 | InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) |
InChIKey | InChI | 1.03 | SUHOOTKUPISOBE-UHFFFAOYSA-N |