disodium;1,5-dihydroxypentane-1,5-disulfonate

C5H10Na2O8S2 — CID 59880392

IUPACdisodium;1,5-dihydroxypentane-1,5-disulfonate
SMILESO=S(=O)([O-])C(O)CCCC(O)S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H12O8S2.2Na/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13;;/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2
InChIKeyYGZZDQOCTFVBFC-UHFFFAOYSA-L
MW308.24 g/mol
LogP-8.11
Rot. Bonds6

About disodium;1,5-dihydroxypentane-1,5-disulfonate

disodium;1,5-dihydroxypentane-1,5-disulfonate (PubChem CID 59880392) has the molecular formula C5H10Na2O8S2 and a molecular weight of 308.24 g/mol. Its IUPAC name is disodium;1,5-dihydroxypentane-1,5-disulfonate.

Molecular Properties

Compound Namedisodium;1,5-dihydroxypentane-1,5-disulfonate
PubChem CID59880392
Molecular FormulaC5H10Na2O8S2
Molecular Weight308.24 g/mol
Exact Mass307.96
IUPAC Namedisodium;1,5-dihydroxypentane-1,5-disulfonate
SMILESO=S(=O)([O-])C(O)CCCC(O)S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H12O8S2.2Na/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13;;/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2
InChIKeyYGZZDQOCTFVBFC-UHFFFAOYSA-L
XLogP-8.11
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 5-8.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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;1,5-dihydroxypentane-1,5-disulfonate?
The IUPAC name of disodium;1,5-dihydroxypentane-1,5-disulfonate (CID 59880392) is disodium;1,5-dihydroxypentane-1,5-disulfonate.
What is the SMILES notation for disodium;1,5-dihydroxypentane-1,5-disulfonate?
The canonical SMILES for disodium;1,5-dihydroxypentane-1,5-disulfonate is O=S(=O)([O-])C(O)CCCC(O)S(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;1,5-dihydroxypentane-1,5-disulfonate?
The InChIKey is YGZZDQOCTFVBFC-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12O8S2.2Na/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13;;/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2.
What are the key properties of disodium;1,5-dihydroxypentane-1,5-disulfonate?
disodium;1,5-dihydroxypentane-1,5-disulfonate has a molecular weight of 308.24 g/mol, XLogP of -8.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,5-dihydroxypentane-1,5-disulfonate is sourced from PubChem (CID 59880392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).