bis(3-hydroxyiminopropoxy)-oxophosphanium

C6H12N2O5P+ — CID 175557819

IUPACbis(3-hydroxyiminopropoxy)-oxophosphanium
SMILESO=[P+](OCCC=NO)OCCC=NO
InChIInChI=1S/C6H11N2O5P/c9-7-3-1-5-12-14(11)13-6-2-4-8-10/h3-4H,1-2,5-6H2,(H-,9,10)/p+1
InChIKeyFGEJVVBDBBENGQ-UHFFFAOYSA-O
MW223.14 g/mol
LogP1.38
Rot. Bonds8

About bis(3-hydroxyiminopropoxy)-oxophosphanium

bis(3-hydroxyiminopropoxy)-oxophosphanium (PubChem CID 175557819) has the molecular formula C6H12N2O5P+ and a molecular weight of 223.14 g/mol. Its IUPAC name is bis(3-hydroxyiminopropoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-hydroxyiminopropoxy)-oxophosphanium
PubChem CID175557819
Molecular FormulaC6H12N2O5P+
Molecular Weight223.14 g/mol
Exact Mass223.05
IUPAC Namebis(3-hydroxyiminopropoxy)-oxophosphanium
SMILESO=[P+](OCCC=NO)OCCC=NO
InChIInChI=1S/C6H11N2O5P/c9-7-3-1-5-12-14(11)13-6-2-4-8-10/h3-4H,1-2,5-6H2,(H-,9,10)/p+1
InChIKeyFGEJVVBDBBENGQ-UHFFFAOYSA-O
XLogP1.38
TPSA100.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine
CID 11052878
bis[(2E)-2-methoxyiminoethoxy]-oxophosphanium
CID 17769584
4,5-Dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium
CID 21476066
Bis(2-methoxyiminoethoxy)-oxophosphanium
CID 73410668
N-ethoxy-3-phosphorosooxypropan-1-imine
CID 140555804
Butoxy(2-hydroxyiminoethyl)phosphinic acid
CID 169084667
3-Hydroxyiminopropyl(propan-2-yloxy)phosphinic acid
CID 169084710
2-Hydroxyiminoethyl(propoxy)phosphinic acid
CID 169084735
Butoxy(3-hydroxyiminopropyl)phosphinic acid
CID 169084741
3-Hydroxyiminopropoxy-(2-methylpropoxy)-oxophosphanium
CID 175557815
Bis(2-hydroxyiminoethoxy)-oxophosphanium
CID 175557821
Hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium
CID 175557822

Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxyiminopropoxy)-oxophosphanium?
The IUPAC name of bis(3-hydroxyiminopropoxy)-oxophosphanium (CID 175557819) is bis(3-hydroxyiminopropoxy)-oxophosphanium.
What is the SMILES notation for bis(3-hydroxyiminopropoxy)-oxophosphanium?
The canonical SMILES for bis(3-hydroxyiminopropoxy)-oxophosphanium is O=[P+](OCCC=NO)OCCC=NO.
What is the InChIKey of bis(3-hydroxyiminopropoxy)-oxophosphanium?
The InChIKey is FGEJVVBDBBENGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N2O5P/c9-7-3-1-5-12-14(11)13-6-2-4-8-10/h3-4H,1-2,5-6H2,(H-,9,10)/p+1.
What are the key properties of bis(3-hydroxyiminopropoxy)-oxophosphanium?
bis(3-hydroxyiminopropoxy)-oxophosphanium has a molecular weight of 223.14 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxyiminopropoxy)-oxophosphanium is sourced from PubChem (CID 175557819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).