CID 174883950

H8BFeLi2MnO8P2 — CID 174883950

IUPAC—
SMILESO=P(O)(O)O.O=P(O)(O)O.[B].[Fe].[H-].[H-].[Li+].[Li+].[Mn]
InChIInChI=1S/B.Fe.2Li.Mn.2H3O4P.2H/c;;;;;2*1-5(2,3)4;;/h;;;;;2*(H3,1,2,3,4);;/q;;2*+1;;;;2*-1
InChIKeyNJQSCJXBOUCNGA-UHFFFAOYSA-N
MW333.48 g/mol
LogP-8.01
Rot. Bonds

About CID 174883950

CID 174883950 (PubChem CID 174883950) has the molecular formula H8BFeLi2MnO8P2 and a molecular weight of 333.48 g/mol.

Molecular Properties

Compound NameCID 174883950
PubChem CID174883950
Molecular FormulaH8BFeLi2MnO8P2
Molecular Weight333.48 g/mol
Exact Mass333.88
IUPAC Name—
SMILESO=P(O)(O)O.O=P(O)(O)O.[B].[Fe].[H-].[H-].[Li+].[Li+].[Mn]
InChIInChI=1S/B.Fe.2Li.Mn.2H3O4P.2H/c;;;;;2*1-5(2,3)4;;/h;;;;;2*(H3,1,2,3,4);;/q;;2*+1;;;;2*-1
InChIKeyNJQSCJXBOUCNGA-UHFFFAOYSA-N
XLogP-8.01
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 5-8.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;manganese;phosphoric acid
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dilithium;hydride;iron;phosphoric acid
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magnesium;hydride;iron;manganese;phosphoric acid
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dilithium;magnesium;hydride;manganese;phosphoric acid
CID 174642353
dilithium;hydride;iron;phosphoric acid;vanadium
CID 174827693
CID 174143289
CID 174143289
tetralithium;hydride;phosphoric acid
CID 173293276
lithium;azane;hydride;phosphoric acid
CID 173015565
dilithium;cadmium;hydride;phosphoric acid
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lithium;hydride;phosphoric acid;dihydrofluoride
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Frequently Asked Questions

What is the IUPAC name of CID 174883950?
The IUPAC name of CID 174883950 (CID 174883950) is not available.
What is the SMILES notation for CID 174883950?
The canonical SMILES for CID 174883950 is O=P(O)(O)O.O=P(O)(O)O.[B].[Fe].[H-].[H-].[Li+].[Li+].[Mn].
What is the InChIKey of CID 174883950?
The InChIKey is NJQSCJXBOUCNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Fe.2Li.Mn.2H3O4P.2H/c;;;;;2*1-5(2,3)4;;/h;;;;;2*(H3,1,2,3,4);;/q;;2*+1;;;;2*-1.
What are the key properties of CID 174883950?
CID 174883950 has a molecular weight of 333.48 g/mol, XLogP of -8.01, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174883950 is sourced from PubChem (CID 174883950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).