trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride

C20H15Na3O5 — CID 173284967

IUPACtrisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
SMILESO=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C20H12O5.3Na.3H/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;;;;;/h1-10,21-22H;;;;;;/q;3*+1;3*-1
InChIKeyUVMHIMHKCREQRM-UHFFFAOYSA-N
MW404.31 g/mol
LogP-4.98
Rot. Bonds

About trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride

trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride (PubChem CID 173284967) has the molecular formula C20H15Na3O5 and a molecular weight of 404.31 g/mol. Its IUPAC name is trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride.

Molecular Properties

Compound Nametrisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
PubChem CID173284967
Molecular FormulaC20H15Na3O5
Molecular Weight404.31 g/mol
Exact Mass404.06
IUPAC Nametrisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
SMILESO=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C20H12O5.3Na.3H/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;;;;;/h1-10,21-22H;;;;;;/q;3*+1;3*-1
InChIKeyUVMHIMHKCREQRM-UHFFFAOYSA-N
XLogP-4.98
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 5-4.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
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3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenol
CID 70117084
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;2-phenylethylbenzene
CID 68989148
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;diphenylmethanone
CID 68707787
amino dihydrogen phosphite;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174660209
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N-isothiocyanato-1-sulfanylidenemethanimine
CID 134495246
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;prop-2-enamide
CID 18433884
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;iron;N-(sulfanylidenemethylidene)hydroxylamine
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Frequently Asked Questions

What is the IUPAC name of trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride?
The IUPAC name of trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride (CID 173284967) is trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride.
What is the SMILES notation for trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride?
The canonical SMILES for trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride is O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride?
The InChIKey is UVMHIMHKCREQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O5.3Na.3H/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;;;;;/h1-10,21-22H;;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride?
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride has a molecular weight of 404.31 g/mol, XLogP of -4.98, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride is sourced from PubChem (CID 173284967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).