CID 174544732

H8NNaO10S2 — CID 174544732

IUPAC—
SMILESNOO.O=S(=O)(O)O.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/H3NO2.Na.2H2O4S.H/c1-3-2;;2*1-5(2,3)4;/h2H,1H2;;2*(H2,1,2,3,4);/q;+1;;;-1
InChIKeyADFATGFNLZYLHC-UHFFFAOYSA-N
MW269.18 g/mol
LogP-4.84
Rot. Bonds

About CID 174544732

CID 174544732 (PubChem CID 174544732) has the molecular formula H8NNaO10S2 and a molecular weight of 269.18 g/mol.

Molecular Properties

Compound NameCID 174544732
PubChem CID174544732
Molecular FormulaH8NNaO10S2
Molecular Weight269.18 g/mol
Exact Mass268.95
IUPAC Name—
SMILESNOO.O=S(=O)(O)O.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/H3NO2.Na.2H2O4S.H/c1-3-2;;2*1-5(2,3)4;/h2H,1H2;;2*(H2,1,2,3,4);/q;+1;;;-1
InChIKeyADFATGFNLZYLHC-UHFFFAOYSA-N
XLogP-4.84
TPSA204.68 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.18
LogP ≤ 5-4.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174544732?
The IUPAC name of CID 174544732 (CID 174544732) is not available.
What is the SMILES notation for CID 174544732?
The canonical SMILES for CID 174544732 is NOO.O=S(=O)(O)O.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of CID 174544732?
The InChIKey is ADFATGFNLZYLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO2.Na.2H2O4S.H/c1-3-2;;2*1-5(2,3)4;/h2H,1H2;;2*(H2,1,2,3,4);/q;+1;;;-1.
What are the key properties of CID 174544732?
CID 174544732 has a molecular weight of 269.18 g/mol, XLogP of -4.84, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174544732 is sourced from PubChem (CID 174544732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).