bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate

C26H34MnN4O12 — CID 139070537

IUPACbis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.O.OC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Mn+2]
InChIInChI=1S/2C11H10N2O2.2C2H4O2.Mn.4H2O/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2(3)4;;;;;/h2*1-8,14-15H;2*1H3,(H,3,4);;4*1H2/q;;;;+2;;;;/p-2
InChIKeyCHXWQXNSXBMWBD-UHFFFAOYSA-L
MW649.51 g/mol
LogP-4.46
Rot. Bonds4

About bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate

bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate (PubChem CID 139070537) has the molecular formula C26H34MnN4O12 and a molecular weight of 649.51 g/mol. Its IUPAC name is bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate.

Molecular Properties

Compound Namebis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate
PubChem CID139070537
Molecular FormulaC26H34MnN4O12
Molecular Weight649.51 g/mol
Exact Mass649.16
IUPAC Namebis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.O.OC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Mn+2]
InChIInChI=1S/2C11H10N2O2.2C2H4O2.Mn.4H2O/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2(3)4;;;;;/h2*1-8,14-15H;2*1H3,(H,3,4);;4*1H2/q;;;;+2;;;;/p-2
InChIKeyCHXWQXNSXBMWBD-UHFFFAOYSA-L
XLogP-4.46
TPSA338.74 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.51
LogP ≤ 5-4.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 102494319
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CID 129712041
Calcium chromium picolinate iron
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Chromium picolinate lead
CID 129858701
Uranium picolinate
CID 134822610
Bis(dipyridin-2-ylmethanediol);platinum(2+);dichloride;tetrahydrate
CID 139053883
Bis(2,2'-dipyridylmethanediol-N,N')palladium(II) Chloride Tetrahydrate
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Frequently Asked Questions

What is the IUPAC name of bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate?
The IUPAC name of bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate (CID 139070537) is bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate.
What is the SMILES notation for bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate?
The canonical SMILES for bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate is CC(=O)[O-].CC(=O)[O-].O.O.O.O.OC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Mn+2].
What is the InChIKey of bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate?
The InChIKey is CHXWQXNSXBMWBD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H10N2O2.2C2H4O2.Mn.4H2O/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2(3)4;;;;;/h2*1-8,14-15H;2*1H3,(H,3,4);;4*1H2/q;;;;+2;;;;/p-2.
What are the key properties of bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate?
bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate has a molecular weight of 649.51 g/mol, XLogP of -4.46, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dipyridin-2-ylmethanediol);manganese(2+);diacetate;tetrahydrate is sourced from PubChem (CID 139070537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).