Nbd-ocpc

[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Also Known As: Nbd-ocpc|1-Oleoyl-2-nbd-6-aminocaproyl-sn-glycero-3-phosphocholine|1-Oleoyl-2-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproylphosphatidylcholine|[2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate|4-Hydroxy-N,N,N-trimethyl-7-((6-((7-nitro-4-benzofurazanyl)amino)-1-oxohexyl)oxy)-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium hydroxide, inner salt, 4-oxide, (Z)-|3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-((6-((7-nitro-2,1,3-benzoxadiazol-4-yl)amino)-1-oxohexyl)oxy)-10-oxo-, inner salt, 4-oxide, (Z)-|3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-((6-((7-nitro-4-benzofurazanyl)amino)-1-oxohexyl)oxy)-10-oxo-, hydroxide, inner salt, 4-oxide, (Z)-|3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-10-oxo-, inner salt, 4-oxide, (Z)-

Molecular Formula	C38H64N5O11P
Molecular Weight	797.434 g/mol
LogP	7.8036
Topological Polar Surface Area	205.28 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	14
Rotatable Bonds	33
Exact Mass	797.434
Monoisotopic Mass	797.434
Heavy Atoms	55
Complexity	1480.4209

Chemical Identifiers

CAS Number	99566-32-2
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]