2-[(2-aminoethyl)amino]ethoxy(2,3-bis(octadec-9-enoyloxy)propoxy)phosphinic acid

2-[(2-aminoethyl)amino]ethoxy(2,3-bis(octadec-9-enoyloxy)propoxy)phosphinic acid

Formula: C43H83N2O8P

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(O)(=O)OCCNCCN)OC(=O)CCCCCCCC=CCCCCCCCC

IUPAC: {2-[(2-aminoethyl)amino]ethoxy}[2,3-bis(octadec-9-enoyloxy)propoxy]phosphinic acid

InChI: InChI=1/C43H83N2O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(46)50-39-41(40-52-54(48,49)51-38-37-45-36-35-44)53-43(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41,45H,3-16,21-40,44H2,1-2H3,(H,48,49)

Composition: C (65.62%), H (10.63%), N (3.56%), O (16.26%), P (3.94%)

Molar Mass: 787.117

Atom Count: 137

Heavy Atom Count: 54

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	786.588704639
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	LVANELSNTRCWCN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	224.37
Topological Polar Surface Area	146.41
Polarizability	89.12
Ring Count	0
Rotatable Bond Count	44

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Purity	LeadTime	Formula		UnitPrice
98%	<14 Days	C43H83N2O8P		Quote Only