hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium

C3H7NO4P+ — CID 175557822

IUPAChydroxy-(3-hydroxyiminopropoxy)-oxophosphanium
SMILESO=[P+](O)OCCC=NO
InChIInChI=1S/C3H6NO4P/c5-4-2-1-3-8-9(6)7/h2H,1,3H2,(H-,5,6,7)/p+1
InChIKeyZFRCKCFQPORSGY-UHFFFAOYSA-O
MW152.07 g/mol
LogP0.50
Rot. Bonds4

About hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium

hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium (PubChem CID 175557822) has the molecular formula C3H7NO4P+ and a molecular weight of 152.07 g/mol. Its IUPAC name is hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(3-hydroxyiminopropoxy)-oxophosphanium
PubChem CID175557822
Molecular FormulaC3H7NO4P+
Molecular Weight152.07 g/mol
Exact Mass152.01
IUPAC Namehydroxy-(3-hydroxyiminopropoxy)-oxophosphanium
SMILESO=[P+](O)OCCC=NO
InChIInChI=1S/C3H6NO4P/c5-4-2-1-3-8-9(6)7/h2H,1,3H2,(H-,5,6,7)/p+1
InChIKeyZFRCKCFQPORSGY-UHFFFAOYSA-O
XLogP0.50
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium?
The IUPAC name of hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium (CID 175557822) is hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium is O=[P+](O)OCCC=NO.
What is the InChIKey of hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium?
The InChIKey is ZFRCKCFQPORSGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6NO4P/c5-4-2-1-3-8-9(6)7/h2H,1,3H2,(H-,5,6,7)/p+1.
What are the key properties of hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium?
hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium has a molecular weight of 152.07 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-hydroxyiminopropoxy)-oxophosphanium is sourced from PubChem (CID 175557822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).