1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol

C23H44N2O8 — CID 58991248

IUPAC1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCCC(COCC(O)CN1CCOCC1)(COCC(O)CN1CCOCC1)COCC1CO1
InChIInChI=1S/C23H44N2O8/c1-2-23(19-32-15-22-16-33-22,17-30-13-20(26)11-24-3-7-28-8-4-24)18-31-14-21(27)12-25-5-9-29-10-6-25/h20-22,26-27H,2-19H2,1H3
InChIKeyFVXNGNCEYSUVHT-UHFFFAOYSA-N
MW476.61 g/mol
LogP-0.78
Rot. Bonds17

About 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol

1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 58991248) has the molecular formula C23H44N2O8 and a molecular weight of 476.61 g/mol. Its IUPAC name is 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID58991248
Molecular FormulaC23H44N2O8
Molecular Weight476.61 g/mol
Exact Mass476.31
IUPAC Name1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCCC(COCC(O)CN1CCOCC1)(COCC(O)CN1CCOCC1)COCC1CO1
InChIInChI=1S/C23H44N2O8/c1-2-23(19-32-15-22-16-33-22,17-30-13-20(26)11-24-3-7-28-8-4-24)18-31-14-21(27)12-25-5-9-29-10-6-25/h20-22,26-27H,2-19H2,1H3
InChIKeyFVXNGNCEYSUVHT-UHFFFAOYSA-N
XLogP-0.78
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol (CID 58991248) is 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol is CCC(COCC(O)CN1CCOCC1)(COCC(O)CN1CCOCC1)COCC1CO1.
What is the InChIKey of 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is FVXNGNCEYSUVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O8/c1-2-23(19-32-15-22-16-33-22,17-30-13-20(26)11-24-3-7-28-8-4-24)18-31-14-21(27)12-25-5-9-29-10-6-25/h20-22,26-27H,2-19H2,1H3.
What are the key properties of 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol?
1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 476.61 g/mol, XLogP of -0.78, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 58991248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).