036
Summary
Name: | (2R)-2,7-bis(phosphonooxy)heptanoic acid |
Formula: | C7 H16 O10 P2 |
Formal charge: | 0 |
Formula weight: | 322.143 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R)-2,7-bis(phosphonooxy)heptanoic acid |
OpenEye OEToolkits | 1.7.0 | (2R)-2,7-diphosphonooxyheptanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(OP(=O)(O)O)CCCCCOP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H](CCCCCO[P](O)(O)=O)O[P](O)(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)[CH](CCCCCO[P](O)(O)=O)O[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(CCC(C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C7H16O10P2/c8-7(9)6(17-19(13,14)15)4-2-1-3-5-16-18(10,11)12/h6H,1-5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)/t6-/m1/s1 |
InChIKey | InChI | 1.03 | OZYHUBGACYJJJF-ZCFIWIBFSA-N |