dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine

C28H66N6O9P3+ — CID 155701017

IUPACdimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine
SMILESCC.CC.CN1CCO[C@H](COP(C)(=O)N(C)C)C1.C[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCO[C@H](CO[P+](=O)N(C)C)C2)O1
InChIInChI=1S/C15H33N4O6P2.C9H21N2O3P.2C2H6/c1-13-8-16-9-14(25-13)12-24-27(21,18(4)5)19-6-7-22-15(10-19)11-23-26(20)17(2)3;1-10(2)15(4,12)14-8-9-7-11(3)5-6-13-9;2*1-2/h13-16H,6-12H2,1-5H3;9H,5-8H2,1-4H3;2*1-2H3/q+1;;;/t13-,14-,15-,27?;9-,15?;;/m00../s1
InChIKeyRZZJPYJZPCMYCY-MUWHGBMVSA-N
MW723.79 g/mol
LogP3.76
Rot. Bonds13

About dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine

dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine (PubChem CID 155701017) has the molecular formula C28H66N6O9P3+ and a molecular weight of 723.79 g/mol. Its IUPAC name is dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine.

Molecular Properties

Compound Namedimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine
PubChem CID155701017
Molecular FormulaC28H66N6O9P3+
Molecular Weight723.79 g/mol
Exact Mass723.41
IUPAC Namedimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine
SMILESCC.CC.CN1CCO[C@H](COP(C)(=O)N(C)C)C1.C[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCO[C@H](CO[P+](=O)N(C)C)C2)O1
InChIInChI=1S/C15H33N4O6P2.C9H21N2O3P.2C2H6/c1-13-8-16-9-14(25-13)12-24-27(21,18(4)5)19-6-7-22-15(10-19)11-23-26(20)17(2)3;1-10(2)15(4,12)14-8-9-7-11(3)5-6-13-9;2*1-2/h13-16H,6-12H2,1-5H3;9H,5-8H2,1-4H3;2*1-2H3/q+1;;;/t13-,14-,15-,27?;9-,15?;;/m00../s1
InChIKeyRZZJPYJZPCMYCY-MUWHGBMVSA-N
XLogP3.76
TPSA134.82 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine?
The IUPAC name of dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine (CID 155701017) is dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine.
What is the SMILES notation for dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine?
The canonical SMILES for dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine is CC.CC.CN1CCO[C@H](COP(C)(=O)N(C)C)C1.C[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCO[C@H](CO[P+](=O)N(C)C)C2)O1.
What is the InChIKey of dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine?
The InChIKey is RZZJPYJZPCMYCY-MUWHGBMVSA-N. The full InChI is InChI=1S/C15H33N4O6P2.C9H21N2O3P.2C2H6/c1-13-8-16-9-14(25-13)12-24-27(21,18(4)5)19-6-7-22-15(10-19)11-23-26(20)17(2)3;1-10(2)15(4,12)14-8-9-7-11(3)5-6-13-9;2*1-2/h13-16H,6-12H2,1-5H3;9H,5-8H2,1-4H3;2*1-2H3/q+1;;;/t13-,14-,15-,27?;9-,15?;;/m00../s1.
What are the key properties of dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine?
dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine has a molecular weight of 723.79 g/mol, XLogP of 3.76, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine is sourced from PubChem (CID 155701017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).