diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate

H56Cr2N2O40S4 — CID 135395391

IUPACdiazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3].[NH4+].[NH4+]
InChIInChI=1S/2Cr.2H3N.4H2O4S.24H2O/c;;;;4*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H3;4*(H2,1,2,3,4);24*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6
InChIKeySMGXOXKNYPEWIQ-UHFFFAOYSA-H
MW956.68 g/mol
LogP-24.40
Rot. Bonds

About diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate

diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate (PubChem CID 135395391) has the molecular formula H56Cr2N2O40S4 and a molecular weight of 956.68 g/mol. Its IUPAC name is diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate.

Molecular Properties

Compound Namediazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate
PubChem CID135395391
Molecular FormulaH56Cr2N2O40S4
Molecular Weight956.68 g/mol
Exact Mass956.01
IUPAC Namediazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3].[NH4+].[NH4+]
InChIInChI=1S/2Cr.2H3N.4H2O4S.24H2O/c;;;;4*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H3;4*(H2,1,2,3,4);24*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6
InChIKeySMGXOXKNYPEWIQ-UHFFFAOYSA-H
XLogP-24.40
TPSA1150.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.68
LogP ≤ 5-24.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

chromium(3+);sulfate;hexahydrate
CID 21126657
potassium;chromium(3+);disulfate;decahydrate
CID 172850591
azanium;cerium(3+);disulfate;hydrate
CID 91824227
chromium(3+);chloride;sulfate;hexahydrate
CID 174996019
azanium;cerium(3+);sulfate;hydrate
CID 19882911
octaazanium;tetrasulfate
CID 86742620
azanium sulfate
CID 21225610
azanium;lithium;sulfate
CID 139045804
sulfate trihydrate
CID 22613957
diazanium;hydrazine;sulfate;hydrate
CID 159722336
disodium;disulfate;hydrate
CID 20976610
cesium;chromium(3+);disulfate
CID 14228611

Frequently Asked Questions

What is the IUPAC name of diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate?
The IUPAC name of diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate (CID 135395391) is diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate.
What is the SMILES notation for diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate?
The canonical SMILES for diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3].[NH4+].[NH4+].
What is the InChIKey of diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate?
The InChIKey is SMGXOXKNYPEWIQ-UHFFFAOYSA-H. The full InChI is InChI=1S/2Cr.2H3N.4H2O4S.24H2O/c;;;;4*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H3;4*(H2,1,2,3,4);24*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6.
What are the key properties of diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate?
diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate has a molecular weight of 956.68 g/mol, XLogP of -24.40, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate is sourced from PubChem (CID 135395391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).