1,2-Dioleoyl-sn-glycero-3-PA, Sodium salt
PubChem CID: 59765859
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| Compound Synonyms | BP-29563, 1,2-Dioleoyl-sn-glycero-3-PA, Sodium salt |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 122.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | MHUWZNTUIIFHAS-DSSVUWSHSA-M |
| Fcsp3 | 0.8461538461538461 |
| Rotatable Bond Count | 38.0 |
| Heavy Atom Count | 48.0 |
| Compound Name | 1,2-Dioleoyl-sn-glycero-3-PA, Sodium salt |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 699.496 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 699.496 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 836.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 700.0 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] hydrogen phosphate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Prediction Hob | 0.0 |
| Esol | -10.0193202 |
| Inchi | InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/p-1/b19-17-,20-18-/t37-/m1/s1 |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC |
| Xlogp | 13.2 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C39H72O8P- |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Lathyris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mucuna Birdwoodiana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients