dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride

H14Na12O23S11 — CID 174535476

IUPACdodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride
SMILESO=S(O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/12Na.H2O23S11.12H/c;;;;;;;;;;;;1-24(2)14-26(5)16-28(7)18-30(9)20-32(11)22-34(13)23-33(12)21-31(10)19-29(8)17-27(6)15-25(3)4;;;;;;;;;;;;/h;;;;;;;;;;;;(H,1,2)(H,3,4);;;;;;;;;;;;/q12*+1;;12*-1
InChIKeyTYUKMJOCTADSTN-UHFFFAOYSA-N
MW1010.71 g/mol
LogP-38.97
Rot. Bonds20

About dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride

dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride (PubChem CID 174535476) has the molecular formula H14Na12O23S11 and a molecular weight of 1010.71 g/mol. Its IUPAC name is dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride.

Molecular Properties

Compound Namedodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride
PubChem CID174535476
Molecular FormulaH14Na12O23S11
Molecular Weight1010.71 g/mol
Exact Mass1009.56
IUPAC Namedodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride
SMILESO=S(O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/12Na.H2O23S11.12H/c;;;;;;;;;;;;1-24(2)14-26(5)16-28(7)18-30(9)20-32(11)22-34(13)23-33(12)21-31(10)19-29(8)17-27(6)15-25(3)4;;;;;;;;;;;;/h;;;;;;;;;;;;(H,1,2)(H,3,4);;;;;;;;;;;;/q12*+1;;12*-1
InChIKeyTYUKMJOCTADSTN-UHFFFAOYSA-N
XLogP-38.97
TPSA320.53 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.71
LogP ≤ 5-38.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride?
The IUPAC name of dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride (CID 174535476) is dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride.
What is the SMILES notation for dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride?
The canonical SMILES for dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride is O=S(O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)OS(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride?
The InChIKey is TYUKMJOCTADSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/12Na.H2O23S11.12H/c;;;;;;;;;;;;1-24(2)14-26(5)16-28(7)18-30(9)20-32(11)22-34(13)23-33(12)21-31(10)19-29(8)17-27(6)15-25(3)4;;;;;;;;;;;;/h;;;;;;;;;;;;(H,1,2)(H,3,4);;;;;;;;;;;;/q12*+1;;12*-1.
What are the key properties of dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride?
dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride has a molecular weight of 1010.71 g/mol, XLogP of -38.97, 20 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for dodecasodium;bis(sulfinooxysulfinyloxysulfinyloxysulfinyloxysulfinyl) sulfite;hydride is sourced from PubChem (CID 174535476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).