disodium;bis(holmium(3+));octabenzoate

C56H40Ho2Na2O16 — CID 139181441

IUPACdisodium;bis(holmium(3+));octabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ho+3].[Ho+3].[Na+].[Na+]
InChIInChI=1S/8C7H6O2.2Ho.2Na/c8*8-7(9)6-4-2-1-3-5-6;;;;/h8*1-5H,(H,8,9);;;;/q;;;;;;;;2*+3;2*+1/p-8
InChIKeyRGYKJAYUXCCWEB-UHFFFAOYSA-F
MW1344.76 g/mol
LogP-5.59
Rot. Bonds8

About disodium;bis(holmium(3+));octabenzoate

disodium;bis(holmium(3+));octabenzoate (PubChem CID 139181441) has the molecular formula C56H40Ho2Na2O16 and a molecular weight of 1344.76 g/mol. Its IUPAC name is disodium;bis(holmium(3+));octabenzoate.

Molecular Properties

Compound Namedisodium;bis(holmium(3+));octabenzoate
PubChem CID139181441
Molecular FormulaC56H40Ho2Na2O16
Molecular Weight1344.76 g/mol
Exact Mass1344.07
IUPAC Namedisodium;bis(holmium(3+));octabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ho+3].[Ho+3].[Na+].[Na+]
InChIInChI=1S/8C7H6O2.2Ho.2Na/c8*8-7(9)6-4-2-1-3-5-6;;;;/h8*1-5H,(H,8,9);;;;/q;;;;;;;;2*+3;2*+1/p-8
InChIKeyRGYKJAYUXCCWEB-UHFFFAOYSA-F
XLogP-5.59
TPSA321.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001344.76
LogP ≤ 5-5.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

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CID 16688702
Zinn-tetrabenzoat
CID 16693357
Tetraphenylantimony benzoate
CID 16694340
Titanium(4+) tetrabenzoate
CID 12950976
Cerium tetrabenzoate
CID 23191663
Barium benzoate barium
CID 129657332
Uranium benzoate
CID 129693350
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CID 129763210
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CID 129865414

Frequently Asked Questions

What is the IUPAC name of disodium;bis(holmium(3+));octabenzoate?
The IUPAC name of disodium;bis(holmium(3+));octabenzoate (CID 139181441) is disodium;bis(holmium(3+));octabenzoate.
What is the SMILES notation for disodium;bis(holmium(3+));octabenzoate?
The canonical SMILES for disodium;bis(holmium(3+));octabenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ho+3].[Ho+3].[Na+].[Na+].
What is the InChIKey of disodium;bis(holmium(3+));octabenzoate?
The InChIKey is RGYKJAYUXCCWEB-UHFFFAOYSA-F. The full InChI is InChI=1S/8C7H6O2.2Ho.2Na/c8*8-7(9)6-4-2-1-3-5-6;;;;/h8*1-5H,(H,8,9);;;;/q;;;;;;;;2*+3;2*+1/p-8.
What are the key properties of disodium;bis(holmium(3+));octabenzoate?
disodium;bis(holmium(3+));octabenzoate has a molecular weight of 1344.76 g/mol, XLogP of -5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis(holmium(3+));octabenzoate is sourced from PubChem (CID 139181441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).