Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine
(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
Also Known As: Mtx-gamma-dmpe|Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine|(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|Methotrexate-gamma-1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine|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
| Molecular Formula | C53H86N9O12P |
|---|---|
| Molecular Weight | 1071.6134 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 316.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 45 |
| Exact Mass | 1071.6134 |
| Monoisotopic Mass | 1071.6134 |
| Heavy Atoms | 75 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 97866-97-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN([C@@H](CCC(=O)N)C(=O)O)C(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)OC(=O)CCCCCCCCCCCCC |
| InChIKey | QUXNXPFUXOBMFG-GGEHFJKESA-N |
Product Overview
Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine (CAS 97866-97-2), with molecular formula C53H86N9O12P and molecular weight 1071.6134 g/mol. IUPAC: (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.
Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine is a custom synthesis product. We offer services from milligram to kilogram scale.
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