disodium;naphthalene-1,5-disulfonate;hydrate

C10H8Na2O7S2 — CID 51346588

IUPACdisodium;naphthalene-1,5-disulfonate;hydrate
SMILESO.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12.[Na+].[Na+]
InChIInChI=1S/C10H8O6S2.2Na.H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;;/h1-6H,(H,11,12,13)(H,14,15,16);;;1H2/q;2*+1;/p-2
InChIKeyFZXBIEHUTPZICY-UHFFFAOYSA-L
MW350.28 g/mol
LogP-6.17
Rot. Bonds2

About disodium;naphthalene-1,5-disulfonate;hydrate

disodium;naphthalene-1,5-disulfonate;hydrate (PubChem CID 51346588) has the molecular formula C10H8Na2O7S2 and a molecular weight of 350.28 g/mol. Its IUPAC name is disodium;naphthalene-1,5-disulfonate;hydrate.

Molecular Properties

Compound Namedisodium;naphthalene-1,5-disulfonate;hydrate
PubChem CID51346588
Molecular FormulaC10H8Na2O7S2
Molecular Weight350.28 g/mol
Exact Mass349.95
IUPAC Namedisodium;naphthalene-1,5-disulfonate;hydrate
SMILESO.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12.[Na+].[Na+]
InChIInChI=1S/C10H8O6S2.2Na.H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;;/h1-6H,(H,11,12,13)(H,14,15,16);;;1H2/q;2*+1;/p-2
InChIKeyFZXBIEHUTPZICY-UHFFFAOYSA-L
XLogP-6.17
TPSA145.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 5-6.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;naphthalene-1,5-disulfonate;hydrate?
The IUPAC name of disodium;naphthalene-1,5-disulfonate;hydrate (CID 51346588) is disodium;naphthalene-1,5-disulfonate;hydrate.
What is the SMILES notation for disodium;naphthalene-1,5-disulfonate;hydrate?
The canonical SMILES for disodium;naphthalene-1,5-disulfonate;hydrate is O.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12.[Na+].[Na+].
What is the InChIKey of disodium;naphthalene-1,5-disulfonate;hydrate?
The InChIKey is FZXBIEHUTPZICY-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O6S2.2Na.H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;;/h1-6H,(H,11,12,13)(H,14,15,16);;;1H2/q;2*+1;/p-2.
What are the key properties of disodium;naphthalene-1,5-disulfonate;hydrate?
disodium;naphthalene-1,5-disulfonate;hydrate has a molecular weight of 350.28 g/mol, XLogP of -6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;naphthalene-1,5-disulfonate;hydrate is sourced from PubChem (CID 51346588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).