bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium

C14H24N2O7P+ — CID 88831473

IUPACbis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium
SMILESC=C(O)CN(CO[P+](=O)OCN(CC(=C)O)CC(=C)O)CC(=C)O
InChIInChI=1S/C14H23N2O7P/c1-11(17)5-15(6-12(2)18)9-22-24(21)23-10-16(7-13(3)19)8-14(4)20/h1-10H2,(H3-,17,18,19,20)/p+1
InChIKeyZTAFKIPFYZQJCY-UHFFFAOYSA-O
MW363.33 g/mol
LogP2.48
Rot. Bonds14

About bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium

bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium (PubChem CID 88831473) has the molecular formula C14H24N2O7P+ and a molecular weight of 363.33 g/mol. Its IUPAC name is bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium
PubChem CID88831473
Molecular FormulaC14H24N2O7P+
Molecular Weight363.33 g/mol
Exact Mass363.13
IUPAC Namebis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium
SMILESC=C(O)CN(CO[P+](=O)OCN(CC(=C)O)CC(=C)O)CC(=C)O
InChIInChI=1S/C14H23N2O7P/c1-11(17)5-15(6-12(2)18)9-22-24(21)23-10-16(7-13(3)19)8-14(4)20/h1-10H2,(H3-,17,18,19,20)/p+1
InChIKeyZTAFKIPFYZQJCY-UHFFFAOYSA-O
XLogP2.48
TPSA122.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium?
The IUPAC name of bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium (CID 88831473) is bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium.
What is the SMILES notation for bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium?
The canonical SMILES for bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium is C=C(O)CN(CO[P+](=O)OCN(CC(=C)O)CC(=C)O)CC(=C)O.
What is the InChIKey of bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium?
The InChIKey is ZTAFKIPFYZQJCY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N2O7P/c1-11(17)5-15(6-12(2)18)9-22-24(21)23-10-16(7-13(3)19)8-14(4)20/h1-10H2,(H3-,17,18,19,20)/p+1.
What are the key properties of bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium?
bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium has a molecular weight of 363.33 g/mol, XLogP of 2.48, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[bis(2-hydroxyprop-2-enyl)amino]methoxy]-oxophosphanium is sourced from PubChem (CID 88831473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).