CID 162308641

C2H6Na4O7S2 — CID 162308641

IUPAC—
SMILESO=S(=O)(O)CC(O)S(=O)(=O)O.[Na].[Na].[Na].[Na]
InChIInChI=1S/C2H6O7S2.4Na/c3-2(11(7,8)9)1-10(4,5)6;;;;/h2-3H,1H2,(H,4,5,6)(H,7,8,9);;;;
InChIKeyIXHRTTFMVZUWBW-UHFFFAOYSA-N
MW298.16 g/mol
LogP-3.44
Rot. Bonds3

About CID 162308641

CID 162308641 (PubChem CID 162308641) has the molecular formula C2H6Na4O7S2 and a molecular weight of 298.16 g/mol.

Molecular Properties

Compound NameCID 162308641
PubChem CID162308641
Molecular FormulaC2H6Na4O7S2
Molecular Weight298.16 g/mol
Exact Mass297.91
IUPAC Name—
SMILESO=S(=O)(O)CC(O)S(=O)(=O)O.[Na].[Na].[Na].[Na]
InChIInChI=1S/C2H6O7S2.4Na/c3-2(11(7,8)9)1-10(4,5)6;;;;/h2-3H,1H2,(H,4,5,6)(H,7,8,9);;;;
InChIKeyIXHRTTFMVZUWBW-UHFFFAOYSA-N
XLogP-3.44
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 5-3.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxybutane-1,4-disulfonic acid
CID 90795169
sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
CID 173490221
CID 170846812
CID 170846812
CID 87204647
CID 87204647
sodium;2-amino-1-hydroxyethanesulfonic acid;hydride
CID 175556811
2-(dihydroxyamino)-1-hydroxyethanesulfonic acid
CID 138503474
(2R)-3-amino-2-hydroxypropane-1-sulfonic acid
CID 154444546
1-hydroxyoctane-1-sulfonic acid
CID 22365526
3-bromo-2-methylpropane-1-sulfonic acid
CID 173458122
sodium 3-chloro-2-hydroxypropane-1-sulfonic acid
CID 19438256
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
3-amino-1-hydroxy-3-oxopropane-1-sulfonic acid
CID 103574313

Frequently Asked Questions

What is the IUPAC name of CID 162308641?
The IUPAC name of CID 162308641 (CID 162308641) is not available.
What is the SMILES notation for CID 162308641?
The canonical SMILES for CID 162308641 is O=S(=O)(O)CC(O)S(=O)(=O)O.[Na].[Na].[Na].[Na].
What is the InChIKey of CID 162308641?
The InChIKey is IXHRTTFMVZUWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O7S2.4Na/c3-2(11(7,8)9)1-10(4,5)6;;;;/h2-3H,1H2,(H,4,5,6)(H,7,8,9);;;;.
What are the key properties of CID 162308641?
CID 162308641 has a molecular weight of 298.16 g/mol, XLogP of -3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162308641 is sourced from PubChem (CID 162308641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).