(N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3

H33Co2N10O18S4 — CID 139088979

IUPAC—
SMILESN.N.N.N.N.N.N.N.N.N.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[Co+3].[Co+3].[O][O-]
InChIInChI=1S/2Co.10H3N.4H2O4S.O2/c;;;;;;;;;;;;4*1-5(2,3)4;1-2/h;;10*1H3;4*(H2,1,2,3,4);/q2*+3;;;;;;;;;;;;;;;-1/p-5
InChIKeyCPJVQCLDNOKDMK-UHFFFAOYSA-I
MW707.45 g/mol
LogP-4.02
Rot. Bonds

About (N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3

(N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3 (PubChem CID 139088979) has the molecular formula H33Co2N10O18S4 and a molecular weight of 707.45 g/mol.

Molecular Properties

Compound Name(N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3
PubChem CID139088979
Molecular FormulaH33Co2N10O18S4
Molecular Weight707.45 g/mol
Exact Mass706.95
IUPAC Name—
SMILESN.N.N.N.N.N.N.N.N.N.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[Co+3].[Co+3].[O][O-]
InChIInChI=1S/2Co.10H3N.4H2O4S.O2/c;;;;;;;;;;;;4*1-5(2,3)4;1-2/h;;10*1H3;4*(H2,1,2,3,4);/q2*+3;;;;;;;;;;;;;;;-1/p-5
InChIKeyCPJVQCLDNOKDMK-UHFFFAOYSA-I
XLogP-4.02
TPSA705.51 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500707.45
LogP ≤ 5-4.02
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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CID 20581843
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Frequently Asked Questions

What is the IUPAC name of (N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3?
The IUPAC name of (N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3 (CID 139088979) is not available.
What is the SMILES notation for (N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3?
The canonical SMILES for (N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3 is N.N.N.N.N.N.N.N.N.N.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[Co+3].[Co+3].[O][O-].
What is the InChIKey of (N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3?
The InChIKey is CPJVQCLDNOKDMK-UHFFFAOYSA-I. The full InChI is InChI=1S/2Co.10H3N.4H2O4S.O2/c;;;;;;;;;;;;4*1-5(2,3)4;1-2/h;;10*1H3;4*(H2,1,2,3,4);/q2*+3;;;;;;;;;;;;;;;-1/p-5.
What are the key properties of (N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3?
(N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3 has a molecular weight of 707.45 g/mol, XLogP of -4.02, 0 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3 is sourced from PubChem (CID 139088979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).