(2-Formyloxy-3-phosphonooxypropyl) formate
PubChem CID: 5460104
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL21169972, Q32039171 |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-formyloxy-3-phosphonooxypropyl) formate |
| Prediction Hob | 0.0 |
| Xlogp | -1.7 |
| Molecular Formula | C5H9O8P |
| Prediction Swissadme | 0.0 |
| Inchi Key | YOMDOOYNZDMRMW-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.239 |
| Rotatable Bond Count | 8.0 |
| Logd | -0.982 |
| Compound Name | (2-Formyloxy-3-phosphonooxypropyl) formate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.004 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.004 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 228.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.33222340000000017 |
| Inchi | InChI=1S/C5H9O8P/c6-3-11-1-5(12-4-7)2-13-14(8,9)10/h3-5H,1-2H2,(H2,8,9,10) |
| Smiles | C(C(COP(=O)(O)O)OC=O)OC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Onobrychis Viciifolia (Plant) Rel Props:Source_db:cmaup_ingredients