2-aminoethanesulfonic acid;phosphoric acid

C2H10NO7PS — CID 174528492

IUPAC2-aminoethanesulfonic acid;phosphoric acid
SMILESNCCS(=O)(=O)O.O=P(O)(O)O
InChIInChI=1S/C2H7NO3S.H3O4P/c3-1-2-7(4,5)6;1-5(2,3)4/h1-3H2,(H,4,5,6);(H3,1,2,3,4)
InChIKeyMNPKUAFRUICDPH-UHFFFAOYSA-N
MW223.14 g/mol
LogP-2.10
Rot. Bonds2

About 2-aminoethanesulfonic acid;phosphoric acid

2-aminoethanesulfonic acid;phosphoric acid (PubChem CID 174528492) has the molecular formula C2H10NO7PS and a molecular weight of 223.14 g/mol. Its IUPAC name is 2-aminoethanesulfonic acid;phosphoric acid.

Molecular Properties

Compound Name2-aminoethanesulfonic acid;phosphoric acid
PubChem CID174528492
Molecular FormulaC2H10NO7PS
Molecular Weight223.14 g/mol
Exact Mass222.99
IUPAC Name2-aminoethanesulfonic acid;phosphoric acid
SMILESNCCS(=O)(=O)O.O=P(O)(O)O
InChIInChI=1S/C2H7NO3S.H3O4P/c3-1-2-7(4,5)6;1-5(2,3)4/h1-3H2,(H,4,5,6);(H3,1,2,3,4)
InChIKeyMNPKUAFRUICDPH-UHFFFAOYSA-N
XLogP-2.10
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

2-aminoethanesulfonic acid;iron
CID 174379186
2-aminoethanesulfonic acid;λ2-plumbane
CID 173327992
Ethanesulfonic acid,2-amino-, sodium salt (1:1)
CID 53471337
strontium;2-aminoethanesulfonic acid;hydride
CID 174530602
2-aminoethanesulfonic acid;deuterium monohydride
CID 175205944
2-aminoethanesulfonic acid;urea;hydrate
CID 134249189
2-aminoethanesulfonic acid;formamide;hydrochloride
CID 173249387
2-aminoethanesulfonic acid;2-aminoethanol;manganese;zinc;dihydrochloride
CID 173378884
CID 22244101
CID 22244101
3-amino-3,3-diphosphonopropane-1-sulfonic acid
CID 18756970
2-aminoethanesulfonic acid;hexane-1,2,3,4,5,6-hexol
CID 19097590
potassium;3-aminopropane-1-sulfonic acid;chloride
CID 172840895

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfonic acid;phosphoric acid?
The IUPAC name of 2-aminoethanesulfonic acid;phosphoric acid (CID 174528492) is 2-aminoethanesulfonic acid;phosphoric acid.
What is the SMILES notation for 2-aminoethanesulfonic acid;phosphoric acid?
The canonical SMILES for 2-aminoethanesulfonic acid;phosphoric acid is NCCS(=O)(=O)O.O=P(O)(O)O.
What is the InChIKey of 2-aminoethanesulfonic acid;phosphoric acid?
The InChIKey is MNPKUAFRUICDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.H3O4P/c3-1-2-7(4,5)6;1-5(2,3)4/h1-3H2,(H,4,5,6);(H3,1,2,3,4).
What are the key properties of 2-aminoethanesulfonic acid;phosphoric acid?
2-aminoethanesulfonic acid;phosphoric acid has a molecular weight of 223.14 g/mol, XLogP of -2.10, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfonic acid;phosphoric acid is sourced from PubChem (CID 174528492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).