2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate
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![2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/96b8f3132cde402bb3d34aba68440fd1.png "2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate")
2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate
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CAS No:
109897-91-8
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Formula:
C35H62N7O9P
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Chemical Name:
2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate
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Synonyms:
N-(alpha-N-palmitoyl-epsilon-N-(4-nitrobenz-2-oxa-1,3-diazole)lysine)-2-aminoethanol-N-(trimethylaminoethanol)phosphate;PC 16;PC-16;PC16;109897-91-8;PC 16;PC16;DTXSID70911391;PC-16;2-({1-Hydroxy-2-[(1-hydroxyhexadecylidene)amino]-6-[(7-nitro-2,1,3-benzoxadiazol-4(1H)-ylidene)amino]hexylidene}amino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;N-(alpha-N-Palmitoyl-epsilon-N-(4-nitrobenz-2-oxa-1,3-diazole)lysine)-2-aminoethanol-N-(trimethylaminoethanol)phosphate
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CAS No:
2-[[(2S)-2-(hexadecanoylamino)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Basic Attributes
755.9 g/mol
755.43466358 g/mol
Drug Information
N-(alpha-N-palmitoyl-epsilon-N-(4-nitrobenz-2-oxa-1,3-diazole)lysine)-2-aminoethanol-N-(trimethylaminoethanol)phosphate
Computed Properties
Molecular Weight:755.9
XLogP3:6.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:30
Exact Mass:755.43466358
Monoisotopic Mass:755.43466358
Topological Polar Surface Area:214
Heavy Atom Count:52
Complexity:1050
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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