dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium

C7H16N2O4P+ — CID 146223228

IUPACdimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
SMILESCN(C)[P+](=O)OC[C@@H]1CNC[C@H](O)O1
InChIInChI=1S/C7H16N2O4P/c1-9(2)14(11)12-5-6-3-8-4-7(10)13-6/h6-8,10H,3-5H2,1-2H3/q+1/t6-,7+/m0/s1
InChIKeyQBJKEWNJJXRNRQ-NKWVEPMBSA-N
MW223.19 g/mol
LogP-0.47
Rot. Bonds4

About dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium

dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium (PubChem CID 146223228) has the molecular formula C7H16N2O4P+ and a molecular weight of 223.19 g/mol. Its IUPAC name is dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namedimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
PubChem CID146223228
Molecular FormulaC7H16N2O4P+
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Namedimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
SMILESCN(C)[P+](=O)OC[C@@H]1CNC[C@H](O)O1
InChIInChI=1S/C7H16N2O4P/c1-9(2)14(11)12-5-6-3-8-4-7(10)13-6/h6-8,10H,3-5H2,1-2H3/q+1/t6-,7+/m0/s1
InChIKeyQBJKEWNJJXRNRQ-NKWVEPMBSA-N
XLogP-0.47
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium?
The IUPAC name of dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium (CID 146223228) is dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium is CN(C)[P+](=O)OC[C@@H]1CNC[C@H](O)O1.
What is the InChIKey of dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium?
The InChIKey is QBJKEWNJJXRNRQ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16N2O4P/c1-9(2)14(11)12-5-6-3-8-4-7(10)13-6/h6-8,10H,3-5H2,1-2H3/q+1/t6-,7+/m0/s1.
What are the key properties of dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium?
dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium has a molecular weight of 223.19 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 146223228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).