4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol

C16H36N4O7P2 — CID 145409795

IUPAC4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol
SMILESCC1CNCC(COP(=O)(N(C)C)N2CC(O)OC(COP(C)(=O)N(C)C)C2)O1
InChIInChI=1S/C16H36N4O7P2/c1-13-7-17-8-14(26-13)11-25-29(23,19(4)5)20-9-15(27-16(21)10-20)12-24-28(6,22)18(2)3/h13-17,21H,7-12H2,1-6H3
InChIKeyOVTVKTIRYGTRFP-UHFFFAOYSA-N
MW458.43 g/mol
LogP0.47
Rot. Bonds9

About 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol

4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol (PubChem CID 145409795) has the molecular formula C16H36N4O7P2 and a molecular weight of 458.43 g/mol. Its IUPAC name is 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol.

Molecular Properties

Compound Name4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol
PubChem CID145409795
Molecular FormulaC16H36N4O7P2
Molecular Weight458.43 g/mol
Exact Mass458.21
IUPAC Name4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol
SMILESCC1CNCC(COP(=O)(N(C)C)N2CC(O)OC(COP(C)(=O)N(C)C)C2)O1
InChIInChI=1S/C16H36N4O7P2/c1-13-7-17-8-14(26-13)11-25-29(23,19(4)5)20-9-15(27-16(21)10-20)12-24-28(6,22)18(2)3/h13-17,21H,7-12H2,1-6H3
InChIKeyOVTVKTIRYGTRFP-UHFFFAOYSA-N
XLogP0.47
TPSA113.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol
CID 134350316
dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
CID 134442399
dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
CID 139526877
dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
CID 139527071
(6S)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol;ethane
CID 142553360
6-[[Dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol
CID 145409791
6-[[Dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol
CID 145409805
dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
CID 146223178
dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
CID 146223179
dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
CID 146223223
dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
CID 146223228
dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
CID 146341309

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol?
The IUPAC name of 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol (CID 145409795) is 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol.
What is the SMILES notation for 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol?
The canonical SMILES for 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol is CC1CNCC(COP(=O)(N(C)C)N2CC(O)OC(COP(C)(=O)N(C)C)C2)O1.
What is the InChIKey of 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol?
The InChIKey is OVTVKTIRYGTRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O7P2/c1-13-7-17-8-14(26-13)11-25-29(23,19(4)5)20-9-15(27-16(21)10-20)12-24-28(6,22)18(2)3/h13-17,21H,7-12H2,1-6H3.
What are the key properties of 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol?
4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol has a molecular weight of 458.43 g/mol, XLogP of 0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-ol is sourced from PubChem (CID 145409795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).