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88542-95-4 | 2-[[(2R)-3-hexadecoxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxido-phosphoryl]oxyethyl-trimethyl-azanium
CAS No: 88542-95-4 Catalog No: AG004FQP MDL No:
Product Description
Catalog Number:
AG004FQP
Chemical Name:
2-[[(2R)-3-hexadecoxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxido-phosphoryl]oxyethyl-trimethyl-azanium
CAS Number:
88542-95-4
Molecular Formula:
C42H82NO7P
Molecular Weight:
744.0767
IUPAC Name:
[(2R)-3-hexadecoxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,41H,6-13,15,17-19,21,23-40H2,1-5H3/b16-14-,22-20-/t41-/m1/s1
InChI Key:
IQACMFWAGALEAQ-WESJWMGVSA-N
SMILES:
CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
Properties
Complexity:
866
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
2
Exact Mass:
743.583g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
744.092g/mol
Monoisotopic Mass:
743.583g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
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