(2,2-dihydroxyethylamino)methyl diethyl phosphate

C7H18NO6P — CID 175376160

IUPAC(2,2-dihydroxyethylamino)methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCNCC(O)O
InChIInChI=1S/C7H18NO6P/c1-3-12-15(11,13-4-2)14-6-8-5-7(9)10/h7-10H,3-6H2,1-2H3
InChIKeyNWTHGCDMNYGGCV-UHFFFAOYSA-N
MW243.20 g/mol
LogP0.04
Rot. Bonds9

About (2,2-dihydroxyethylamino)methyl diethyl phosphate

(2,2-dihydroxyethylamino)methyl diethyl phosphate (PubChem CID 175376160) has the molecular formula C7H18NO6P and a molecular weight of 243.20 g/mol. Its IUPAC name is (2,2-dihydroxyethylamino)methyl diethyl phosphate.

Molecular Properties

Compound Name(2,2-dihydroxyethylamino)methyl diethyl phosphate
PubChem CID175376160
Molecular FormulaC7H18NO6P
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name(2,2-dihydroxyethylamino)methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCNCC(O)O
InChIInChI=1S/C7H18NO6P/c1-3-12-15(11,13-4-2)14-6-8-5-7(9)10/h7-10H,3-6H2,1-2H3
InChIKeyNWTHGCDMNYGGCV-UHFFFAOYSA-N
XLogP0.04
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dihydroxyethylamino)methyl diethyl phosphate?
The IUPAC name of (2,2-dihydroxyethylamino)methyl diethyl phosphate (CID 175376160) is (2,2-dihydroxyethylamino)methyl diethyl phosphate.
What is the SMILES notation for (2,2-dihydroxyethylamino)methyl diethyl phosphate?
The canonical SMILES for (2,2-dihydroxyethylamino)methyl diethyl phosphate is CCOP(=O)(OCC)OCNCC(O)O.
What is the InChIKey of (2,2-dihydroxyethylamino)methyl diethyl phosphate?
The InChIKey is NWTHGCDMNYGGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO6P/c1-3-12-15(11,13-4-2)14-6-8-5-7(9)10/h7-10H,3-6H2,1-2H3.
What are the key properties of (2,2-dihydroxyethylamino)methyl diethyl phosphate?
(2,2-dihydroxyethylamino)methyl diethyl phosphate has a molecular weight of 243.20 g/mol, XLogP of 0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dihydroxyethylamino)methyl diethyl phosphate is sourced from PubChem (CID 175376160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).