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Dicetyl Phosphate

PubChem CID: 75143

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Compound Synonyms Dihexadecyl hydrogen phosphate, Dicetyl phosphate, Dihexadecyl phosphate, 2197-63-9, Dicetylphosphate, Dicetyl hydrogen phosphate, Dicetylphosphoric acid, 1-Hexadecanol, hydrogen phosphate, Bis(hexadecyl) phosphate, Di-n-hexadecyl phosphate, dipalmityl phosphate, Phosphoric acid dihexadecyl ester, dipalmityl hydrogen phosphate, 1-Hexadecanol hydrogen phosphate, 2V6E5WN99N, CHEBI:60424, Phosphoric acid, dihexadecyl ester, EINECS 218-594-7, MFCD00008999, NSC 12429, NSC-12429, BRN 1717117, DTXSID7062243, RNPXCFINMKSQPQ-UHFFFAOYSA-, 1-Hexadecanol, 1,1'-(hydrogen phosphate), DHP, Dicetyl phosphate, 1-Hexadecanol,1,1'-(hydrogen phosphate), Epitope ID:156812, UNII-2V6E5WN99N, SCHEMBL64861, bis(hexadecyloxy)phosphinic acid, DICETYL PHOSPHATE [INCI], DTXCID3036579, C32H67O4P, BCP32676, NSC12429, AKOS015903310, Dicetyl phosphate, Dihexadecyl phosphate, HY-W099547, AS-60121, BP-29565, DB-045740, CS-0152189, NS00083318, Dicetyl phosphate, Dihexadecyl phosphate, powder, Q27127272
Topological Polar Surface Area 55.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 37.0
Isotope Atom Count 0.0
Molecular Complexity 434.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name dihexadecyl hydrogen phosphate
Prediction Hob 0.0
Xlogp 14.5
Molecular Formula C32H67O4P
Prediction Swissadme 0.0
Inchi Key RNPXCFINMKSQPQ-UHFFFAOYSA-N
Fcsp3 1.0
Logs -7.362
Rotatable Bond Count 32.0
Logd 4.407
Compound Name Dicetyl Phosphate
Prediction Hob Swissadme 0.0
Exact Mass 546.478
Formal Charge 0.0
Monoisotopic Mass 546.478
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 546.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -10.133819600000002
Inchi InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
Smiles CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC
Nring 0.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Lygodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients