disodium;hydride;phosphoric acid;2-sulfobutanedioic acid

C4H11Na2O11PS — CID 174265305

IUPACdisodium;hydride;phosphoric acid;2-sulfobutanedioic acid
SMILESO=C(O)CC(C(=O)O)S(=O)(=O)O.O=P(O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H6O7S.2Na.H3O4P.2H/c5-3(6)1-2(4(7)8)12(9,10)11;;;1-5(2,3)4;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;(H3,1,2,3,4);;/q;2*+1;;2*-1
InChIKeyRFRBTRNKVXKLBL-UHFFFAOYSA-N
MW344.14 g/mol
LogP-7.89
Rot. Bonds4

About disodium;hydride;phosphoric acid;2-sulfobutanedioic acid

disodium;hydride;phosphoric acid;2-sulfobutanedioic acid (PubChem CID 174265305) has the molecular formula C4H11Na2O11PS and a molecular weight of 344.14 g/mol. Its IUPAC name is disodium;hydride;phosphoric acid;2-sulfobutanedioic acid.

Molecular Properties

Compound Namedisodium;hydride;phosphoric acid;2-sulfobutanedioic acid
PubChem CID174265305
Molecular FormulaC4H11Na2O11PS
Molecular Weight344.14 g/mol
Exact Mass343.96
IUPAC Namedisodium;hydride;phosphoric acid;2-sulfobutanedioic acid
SMILESO=C(O)CC(C(=O)O)S(=O)(=O)O.O=P(O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H6O7S.2Na.H3O4P.2H/c5-3(6)1-2(4(7)8)12(9,10)11;;;1-5(2,3)4;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;(H3,1,2,3,4);;/q;2*+1;;2*-1
InChIKeyRFRBTRNKVXKLBL-UHFFFAOYSA-N
XLogP-7.89
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.14
LogP ≤ 5-7.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydrogen phosphate;2-sulfobutanedioic acid
CID 172737600
potassium;hydride;2-sulfobutanedioic acid
CID 173197982
2-sulfobutanedioic acid;hydrate
CID 87187855
propane-1,2-diamine;bis(2-sulfobutanedioic acid)
CID 23212052
prop-2-enoic acid;2-sulfobutanedioic acid
CID 88775821
cyanamide;2-sulfobutanedioic acid
CID 172826907
4-amino-4-oxobutanoic acid;2-sulfobutanedioic acid
CID 157095535
2-aminoethanesulfonic acid;methane;2-sulfobutanedioic acid
CID 174886730
2-hydroxyethyl(trimethyl)azanium;2-sulfobutanedioic acid
CID 135221506
2-hydroxysulfonothioylbutanedioic acid
CID 159845011
sodium;heptadecane;2-sulfobutanedioic acid
CID 174761700
barium(2+);2-sulfobutanedioic acid;bis(tridecane)
CID 158468828

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;phosphoric acid;2-sulfobutanedioic acid?
The IUPAC name of disodium;hydride;phosphoric acid;2-sulfobutanedioic acid (CID 174265305) is disodium;hydride;phosphoric acid;2-sulfobutanedioic acid.
What is the SMILES notation for disodium;hydride;phosphoric acid;2-sulfobutanedioic acid?
The canonical SMILES for disodium;hydride;phosphoric acid;2-sulfobutanedioic acid is O=C(O)CC(C(=O)O)S(=O)(=O)O.O=P(O)(O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;phosphoric acid;2-sulfobutanedioic acid?
The InChIKey is RFRBTRNKVXKLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O7S.2Na.H3O4P.2H/c5-3(6)1-2(4(7)8)12(9,10)11;;;1-5(2,3)4;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;(H3,1,2,3,4);;/q;2*+1;;2*-1.
What are the key properties of disodium;hydride;phosphoric acid;2-sulfobutanedioic acid?
disodium;hydride;phosphoric acid;2-sulfobutanedioic acid has a molecular weight of 344.14 g/mol, XLogP of -7.89, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;phosphoric acid;2-sulfobutanedioic acid is sourced from PubChem (CID 174265305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).