[bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium

C5H13NO5P+ — CID 57227498

IUPAC[bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)ON(C(C)O)C(C)O
InChIInChI=1S/C5H13NO5P/c1-4(7)6(5(2)8)11-12(9)10-3/h4-5,7-8H,1-3H3/q+1
InChIKeyNKTMMUOPLUSSLR-UHFFFAOYSA-N
MW198.13 g/mol
LogP0.20
Rot. Bonds5

About [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium

[bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium (PubChem CID 57227498) has the molecular formula C5H13NO5P+ and a molecular weight of 198.13 g/mol. Its IUPAC name is [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium.

Molecular Properties

Compound Name[bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium
PubChem CID57227498
Molecular FormulaC5H13NO5P+
Molecular Weight198.13 g/mol
Exact Mass198.05
IUPAC Name[bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)ON(C(C)O)C(C)O
InChIInChI=1S/C5H13NO5P/c1-4(7)6(5(2)8)11-12(9)10-3/h4-5,7-8H,1-3H3/q+1
InChIKeyNKTMMUOPLUSSLR-UHFFFAOYSA-N
XLogP0.20
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dimethoxy(oxo)phosphanium;hydron
CID 174585571
[bis(1-hydroxyethyl)amino] acetate
CID 57208315
[bis(1-hydroxyethyl)amino] hydrogen carbonate
CID 57058437
[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium
CID 88813225
methoxy-(1-methoxyethoxy)-oxophosphanium
CID 67892497
[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate
CID 87220172
[di(propan-2-yl)amino]-methoxy-oxophosphanium
CID 14840610
1-[bis(1-hydroxyethyl)amino]oxypropan-2-ol
CID 57284867
formyloxy-methoxy-oxophosphanium
CID 57206869
(1S)-1-[methoxy(methyl)amino]ethanol
CID 130292263
CID 89063411
CID 89063411
dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide
CID 159249242

Frequently Asked Questions

What is the IUPAC name of [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium?
The IUPAC name of [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium (CID 57227498) is [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium.
What is the SMILES notation for [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium?
The canonical SMILES for [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium is CO[P+](=O)ON(C(C)O)C(C)O.
What is the InChIKey of [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium?
The InChIKey is NKTMMUOPLUSSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO5P/c1-4(7)6(5(2)8)11-12(9)10-3/h4-5,7-8H,1-3H3/q+1.
What are the key properties of [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium?
[bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium has a molecular weight of 198.13 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium is sourced from PubChem (CID 57227498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).