sodium (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate
PubChem CID: 23702456
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| Compound Synonyms | sodium (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate, 18:1 PA, 1,2-Dioleoyl-sn-glycero-3-phosphate, sodium salt, sodium, [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] hydrogen phosphate, 116004-31-0, 1,2-Dioleoyl-sn-glycero-3-phosphate sodium salt, SCHEMBL940484, DTXSID1039686, 1,2-Dioleoyl-sn-glycero-3-phosphoric acid monosodium salt, PD150552, HY-111915, CS-0093929, E84901, 1,2-Dioleoyl-sn-glycero-3-phosphoric acid monosodium salt, >=98% (TLC), 18:1 PA, 1,2-dioleoyl-sn-glycero-3-phosphate (sodium salt), powder |
|---|---|
| Topological Polar Surface Area | 122.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 49.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 851.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | sodium, [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] hydrogen phosphate |
| Prediction Hob | 0.0 |
| Molecular Formula | C39H72NaO8P |
| Prediction Swissadme | 0.0 |
| Inchi Key | JUKKLZHXFHPJSF-ZBFGHDQJSA-M |
| Fcsp3 | 0.8461538461538461 |
| Logs | -2.049 |
| Rotatable Bond Count | 38.0 |
| Logd | 3.767 |
| Compound Name | sodium (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 722.486 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 722.486 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 722.9 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C39H73O8P.Na/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), /q, +1/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.[Na+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 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