[2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxyethyl]phosphonic acid
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![[2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxyethyl]phosphonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/da19aecd4a144ba08285c1d007b47271.png "[2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxyethyl]phosphonic acid")
[2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxyethyl]phosphonic acid
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CAS No:
120087-00-5
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Formula:
C31H56NO4P
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Chemical Name:
[2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxyethyl]phosphonic acid
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Synonyms:
cholesterylphosphoryldimethylethanolamine;CPDMEA;Cpdmea;120087-00-5;Cholesterylphosphoryldimethylethanolamine;DTXSID50923215;[1-(Cholest-5-en-3-yl)-2-(dimethylamino)-1-hydroxyethyl]phosphonic acid
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CAS No:
[2-(dimethylamino)-1-[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-hydroxyethyl]phosphonic acid Basic Attributes
537.8 g/mol
537.39469627 g/mol
Computed Properties
Molecular Weight:537.8
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:537.39469627
Monoisotopic Mass:537.39469627
Topological Polar Surface Area:81
Heavy Atom Count:37
Complexity:898
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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