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Home > Encyclopedia > 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)-

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)-

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)- structure

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)- 

structure
  • CAS No:

    103067-81-8

  • Formula:

    C48H100NO6P

  • Chemical Name:

    3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)-

  • Synonyms:

    3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-,inner salt,4-oxide,(7S,12R,16R,20R)-;3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[(3,7,11,15-tetramethylhexadecyl)oxy]-,inner salt,4-oxide,[7S-[7R*(3S*,7S*,11S*),12S*,16S*,20S*]]-

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)- Basic Attributes

818.3 g/mol

817.72882691 g/mol

Characteristics

77 Ų

Drug Information

2,3-di-O-phytanyl-sn-glycero-1-phosphocholine

Computed Properties

Molecular Weight:818.3
XLogP3:16.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:40
Exact Mass:817.72882691
Monoisotopic Mass:817.72882691
Topological Polar Surface Area:77
Heavy Atom Count:56
Complexity:918
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]-, inner salt, 4-oxide, (7S,12R,16R,20R)-

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