actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

C23H19Ac2O5P — CID 59876133

IUPACactinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCc1cc2c(cc1P(C)C)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.[Ac].[Ac]
InChIInChI=1S/C23H19O5P.2Ac/c1-12-8-18-15(11-21(12)29(2)3)22(26)28-23(18)16-6-4-13(24)9-19(16)27-20-10-14(25)5-7-17(20)23;;/h4-11,24-25H,1-3H3;;
InChIKeyVCXGTOIPMLHFST-UHFFFAOYSA-N
MW860.37 g/mol
LogP4.34
Rot. Bonds1

About actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 59876133) has the molecular formula C23H19Ac2O5P and a molecular weight of 860.37 g/mol. Its IUPAC name is actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Nameactinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID59876133
Molecular FormulaC23H19Ac2O5P
Molecular Weight860.37 g/mol
Exact Mass860.15
IUPAC Nameactinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCc1cc2c(cc1P(C)C)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.[Ac].[Ac]
InChIInChI=1S/C23H19O5P.2Ac/c1-12-8-18-15(11-21(12)29(2)3)22(26)28-23(18)16-6-4-13(24)9-19(16)27-20-10-14(25)5-7-17(20)23;;/h4-11,24-25H,1-3H3;;
InChIKeyVCXGTOIPMLHFST-UHFFFAOYSA-N
XLogP4.34
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500860.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
3',6'-dihydroxy-6-iodospiro[2-benzofuran-3,9'-xanthene]-1-one
CID 12994513
3',6'-dihydroxy-6-methylsulfanylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 167023672
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
3',6'-dihydroxy-5-iodospiro[2-benzofuran-3,9'-xanthene]-1-one
CID 10276183
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967
acetic acid;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2734982
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
3',6'-dihydroxy-6-(iodomethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 154704217
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;2-phenylethylbenzene
CID 68989148
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
CID 175533354

Frequently Asked Questions

What is the IUPAC name of actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 59876133) is actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is Cc1cc2c(cc1P(C)C)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.[Ac].[Ac].
What is the InChIKey of actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is VCXGTOIPMLHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19O5P.2Ac/c1-12-8-18-15(11-21(12)29(2)3)22(26)28-23(18)16-6-4-13(24)9-19(16)27-20-10-14(25)5-7-17(20)23;;/h4-11,24-25H,1-3H3;;.
What are the key properties of actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 860.37 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;6-dimethylphosphanyl-3',6'-dihydroxy-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 59876133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).