2-cyanoethoxy(trihydroxy)phosphanium

C3H7NO4P+ — CID 87771986

IUPAC2-cyanoethoxy(trihydroxy)phosphanium
SMILESN#CCCO[P+](O)(O)O
InChIInChI=1S/C3H7NO4P/c4-2-1-3-8-9(5,6)7/h5-7H,1,3H2/q+1
InChIKeyPZXGFMBSUSGHDC-UHFFFAOYSA-N
MW152.07 g/mol
LogP-0.43
Rot. Bonds3

About 2-cyanoethoxy(trihydroxy)phosphanium

2-cyanoethoxy(trihydroxy)phosphanium (PubChem CID 87771986) has the molecular formula C3H7NO4P+ and a molecular weight of 152.07 g/mol. Its IUPAC name is 2-cyanoethoxy(trihydroxy)phosphanium.

Molecular Properties

Compound Name2-cyanoethoxy(trihydroxy)phosphanium
PubChem CID87771986
Molecular FormulaC3H7NO4P+
Molecular Weight152.07 g/mol
Exact Mass152.01
IUPAC Name2-cyanoethoxy(trihydroxy)phosphanium
SMILESN#CCCO[P+](O)(O)O
InChIInChI=1S/C3H7NO4P/c4-2-1-3-8-9(5,6)7/h5-7H,1,3H2/q+1
InChIKeyPZXGFMBSUSGHDC-UHFFFAOYSA-N
XLogP-0.43
TPSA93.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-cyanoethoxy(trihydroxy)phosphanium 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 2-cyanoethoxy(trihydroxy)phosphanium?
The IUPAC name of 2-cyanoethoxy(trihydroxy)phosphanium (CID 87771986) is 2-cyanoethoxy(trihydroxy)phosphanium.
What is the SMILES notation for 2-cyanoethoxy(trihydroxy)phosphanium?
The canonical SMILES for 2-cyanoethoxy(trihydroxy)phosphanium is N#CCCO[P+](O)(O)O.
What is the InChIKey of 2-cyanoethoxy(trihydroxy)phosphanium?
The InChIKey is PZXGFMBSUSGHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4P/c4-2-1-3-8-9(5,6)7/h5-7H,1,3H2/q+1.
What are the key properties of 2-cyanoethoxy(trihydroxy)phosphanium?
2-cyanoethoxy(trihydroxy)phosphanium has a molecular weight of 152.07 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy(trihydroxy)phosphanium is sourced from PubChem (CID 87771986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).