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2958-14-7 | Phosphoric acid, dioctadecyl ester, sodium salt (1:1)
CAS No: 2958-14-7 Catalog No: AG002YTM MDL No:
Product Description
Catalog Number:
AG002YTM
Chemical Name:
Phosphoric acid, dioctadecyl ester, sodium salt (1:1)
CAS Number:
2958-14-7
Molecular Formula:
C36H74NaO4P
Molecular Weight:
624.9339
IUPAC Name:
sodium;dioctadecyl phosphate
InChI:
InChI=1S/C36H75O4P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3,(H,37,38);/q;+1/p-1
InChI Key:
JSMHQMIPUOPQLR-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)[O-].[Na+]
EC Number:
220-984-7
UNII:
6N1PX0I2NN
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.522g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
624.948g/mol
Monoisotopic Mass:
624.522g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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