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sodium 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate

sodium 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate

Formula: C42H78NaO10P

SMILES: [Na+].CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCCC=CCCCCCCCC

IUPAC: sodium 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate

InChI: InChI=1/C42H79O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);/q;+1/p-1

Composition: C (63.29%), H (9.86%), Na (2.88%), O (20.07%), P (3.89%)

Molar Mass: 797.04

Atom Count: 132

Heavy Atom Count: 54

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 796.52302999
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey IUVFCFQZFCOKRC-UHFFFAOYNA-M
Lipinski's Rule of Five
Molar Refractivity 214.82
Topological Polar Surface Area 151.65
Polarizability 85.37
Ring Count 0
Rotatable Bond Count 42

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C42H78NaO10P Quote Only
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C42H78NaO10P Quote Only