sodium;hydride;2-sulfoterephthalic acid

C8H7NaO7S — CID 173004511

IUPACsodium;hydride;2-sulfoterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(S(=O)(=O)O)c1.[H-].[Na+]
InChIInChI=1S/C8H6O7S.Na.H/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;/q;+1;-1
InChIKeyNBVFFDDGDHZGMO-UHFFFAOYSA-N
MW270.19 g/mol
LogP-2.55
Rot. Bonds3

About sodium;hydride;2-sulfoterephthalic acid

sodium;hydride;2-sulfoterephthalic acid (PubChem CID 173004511) has the molecular formula C8H7NaO7S and a molecular weight of 270.19 g/mol. Its IUPAC name is sodium;hydride;2-sulfoterephthalic acid.

Molecular Properties

Compound Namesodium;hydride;2-sulfoterephthalic acid
PubChem CID173004511
Molecular FormulaC8H7NaO7S
Molecular Weight270.19 g/mol
Exact Mass269.98
IUPAC Namesodium;hydride;2-sulfoterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(S(=O)(=O)O)c1.[H-].[Na+]
InChIInChI=1S/C8H6O7S.Na.H/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;/q;+1;-1
InChIKeyNBVFFDDGDHZGMO-UHFFFAOYSA-N
XLogP-2.55
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 5-2.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174753124
potassium;hydride;4-iodo-2-sulfobenzoic acid
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3,5-dimethyl-2-sulfoterephthalic acid;2-sulfoterephthalic acid
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methanamine;4-sulfobenzene-1,3-dicarboxylic acid
CID 173392445
potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride
CID 173139453
sodium;hydride;4-nitro-2-sulfobenzoic acid
CID 173234399
sodium;4,8-disulfonaphthalene-2,6-dicarboxylic acid;hydride
CID 173045558
lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride
CID 174776590
potassium;hydride;3-hydroxy-4-sulfobenzoic acid
CID 173217056
3-(2-carboxy-5-sulfophenyl)-4-sulfobenzoic acid
CID 143084208
sodium;hydride;4-octan-4-yloxycarbonyl-3-sulfobenzoic acid
CID 173139369
benzoic acid;2-sulfobenzoic acid
CID 88764691

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-sulfoterephthalic acid?
The IUPAC name of sodium;hydride;2-sulfoterephthalic acid (CID 173004511) is sodium;hydride;2-sulfoterephthalic acid.
What is the SMILES notation for sodium;hydride;2-sulfoterephthalic acid?
The canonical SMILES for sodium;hydride;2-sulfoterephthalic acid is O=C(O)c1ccc(C(=O)O)c(S(=O)(=O)O)c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-sulfoterephthalic acid?
The InChIKey is NBVFFDDGDHZGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O7S.Na.H/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;/q;+1;-1.
What are the key properties of sodium;hydride;2-sulfoterephthalic acid?
sodium;hydride;2-sulfoterephthalic acid has a molecular weight of 270.19 g/mol, XLogP of -2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-sulfoterephthalic acid is sourced from PubChem (CID 173004511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).