disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate

C7H8AsNNa2O6S — CID 10809

IUPACdisodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate
SMILESO=S([O-])CNc1cc([As](=O)([O-])O)ccc1O.[Na+].[Na+]
InChIInChI=1S/C7H10AsNO6S.2Na/c10-7-2-1-5(8(11,12)13)3-6(7)9-4-16(14)15;;/h1-3,9-10H,4H2,(H,14,15)(H2,11,12,13);;/q;2*+1/p-2
InChIKeyDXOVFKCXTQMPEM-UHFFFAOYSA-L
MW355.11 g/mol
LogP-8.42
Rot. Bonds4

About disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate

disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate (PubChem CID 10809) has the molecular formula C7H8AsNNa2O6S and a molecular weight of 355.11 g/mol. Its IUPAC name is disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate.

Molecular Properties

Compound Namedisodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate
PubChem CID10809
Molecular FormulaC7H8AsNNa2O6S
Molecular Weight355.11 g/mol
Exact Mass354.91
IUPAC Namedisodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate
SMILESO=S([O-])CNc1cc([As](=O)([O-])O)ccc1O.[Na+].[Na+]
InChIInChI=1S/C7H10AsNO6S.2Na/c10-7-2-1-5(8(11,12)13)3-6(7)9-4-16(14)15;;/h1-3,9-10H,4H2,(H,14,15)(H2,11,12,13);;/q;2*+1/p-2
InChIKeyDXOVFKCXTQMPEM-UHFFFAOYSA-L
XLogP-8.42
TPSA132.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.11
LogP ≤ 5-8.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate?
The IUPAC name of disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate (CID 10809) is disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate.
What is the SMILES notation for disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate?
The canonical SMILES for disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate is O=S([O-])CNc1cc([As](=O)([O-])O)ccc1O.[Na+].[Na+].
What is the InChIKey of disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate?
The InChIKey is DXOVFKCXTQMPEM-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H10AsNO6S.2Na/c10-7-2-1-5(8(11,12)13)3-6(7)9-4-16(14)15;;/h1-3,9-10H,4H2,(H,14,15)(H2,11,12,13);;/q;2*+1/p-2.
What are the key properties of disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate?
disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate has a molecular weight of 355.11 g/mol, XLogP of -8.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[2-hydroxy-5-[hydroxy(oxido)arsoryl]anilino]methanesulfinate is sourced from PubChem (CID 10809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).