(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl]amino]-5-oxopentanoic acid
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![(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b42d02620131433f82b14a6ecaf87fc0.png "(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl]amino]-5-oxopentanoic acid")
(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl]amino]-5-oxopentanoic acid
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CAS No:
97866-97-2
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Formula:
C53H86N9O12P
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Chemical Name:
(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl]amino]-5-oxopentanoic acid
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Synonyms:
methotrexate-gamma-1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine;methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine;MTX-gamma-DMPE;Mtx-gamma-dmpe;Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine;Methotrexate-gamma-1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine;97866-97-2;L-Glutamine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N-(4-hydroxy-10-oxo-7-((1-oxotetradecyl)oxy)-3,5,9-trioxa-4-phosphatricos-1-yl)-, P-oxide
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CAS No:
(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl]amino]-5-oxopentanoic acid Basic Attributes
1072.3 g/mol
1071.61335621 g/mol
Computed Properties
Molecular Weight:1072.3
XLogP3:10.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:45
Exact Mass:1071.61335621
Monoisotopic Mass:1071.61335621
Topological Polar Surface Area:316
Heavy Atom Count:75
Complexity:1670
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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