neodymium;phosphoric acid;hydrate

H5NdO5P — CID 156593884

IUPACneodymium;phosphoric acid;hydrate
SMILESO.O=P(O)(O)O.[Nd]
InChIInChI=1S/Nd.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2
InChIKeyDVCGJGNZLQAMAA-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.75
Rot. Bonds

About neodymium;phosphoric acid;hydrate

neodymium;phosphoric acid;hydrate (PubChem CID 156593884) has the molecular formula H5NdO5P and a molecular weight of 260.25 g/mol. Its IUPAC name is neodymium;phosphoric acid;hydrate.

Molecular Properties

Compound Nameneodymium;phosphoric acid;hydrate
PubChem CID156593884
Molecular FormulaH5NdO5P
Molecular Weight260.25 g/mol
Exact Mass257.90
IUPAC Nameneodymium;phosphoric acid;hydrate
SMILESO.O=P(O)(O)O.[Nd]
InChIInChI=1S/Nd.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2
InChIKeyDVCGJGNZLQAMAA-UHFFFAOYSA-N
XLogP-1.75
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze neodymium;phosphoric acid;hydrate with MolForge

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

Launch Full Analysis

Related Compounds

phosphoric acid;hydrate
CID 22023151
phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;octahydrate
CID 173160172
CID 173167224
CID 173167224
phosphoric acid;titanium;hydrate
CID 173357749
copper;phosphoric acid;hydrate
CID 516939
calcium;phosphoric acid;hydrate
CID 170923527
phosphane;phosphoric acid;hydrate
CID 157469515
phosphoric acid;zinc;octahydrate
CID 173057080
azane;phosphoric acid;hydrate
CID 173222009
potassium;hydride;phosphoric acid;hydrate
CID 172999023

Frequently Asked Questions

What is the IUPAC name of neodymium;phosphoric acid;hydrate?
The IUPAC name of neodymium;phosphoric acid;hydrate (CID 156593884) is neodymium;phosphoric acid;hydrate.
What is the SMILES notation for neodymium;phosphoric acid;hydrate?
The canonical SMILES for neodymium;phosphoric acid;hydrate is O.O=P(O)(O)O.[Nd].
What is the InChIKey of neodymium;phosphoric acid;hydrate?
The InChIKey is DVCGJGNZLQAMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/Nd.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2.
What are the key properties of neodymium;phosphoric acid;hydrate?
neodymium;phosphoric acid;hydrate has a molecular weight of 260.25 g/mol, XLogP of -1.75, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;phosphoric acid;hydrate is sourced from PubChem (CID 156593884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).