sodium hydroxy(oxolan-2-yl)methanesulfonate

C5H9NaO5S — CID 103574056

IUPACsodium hydroxy(oxolan-2-yl)methanesulfonate
SMILESO=S(=O)([O-])C(O)C1CCCO1.[Na+]
InChIInChI=1S/C5H10O5S.Na/c6-5(11(7,8)9)4-2-1-3-10-4;/h4-6H,1-3H2,(H,7,8,9);/q;+1/p-1
InChIKeyBXUJDABGCNDUMN-UHFFFAOYSA-M
MW204.18 g/mol
LogP-3.97
Rot. Bonds2

About sodium hydroxy(oxolan-2-yl)methanesulfonate

sodium hydroxy(oxolan-2-yl)methanesulfonate (PubChem CID 103574056) has the molecular formula C5H9NaO5S and a molecular weight of 204.18 g/mol. Its IUPAC name is sodium hydroxy(oxolan-2-yl)methanesulfonate.

Molecular Properties

Compound Namesodium hydroxy(oxolan-2-yl)methanesulfonate
PubChem CID103574056
Molecular FormulaC5H9NaO5S
Molecular Weight204.18 g/mol
Exact Mass204.01
IUPAC Namesodium hydroxy(oxolan-2-yl)methanesulfonate
SMILESO=S(=O)([O-])C(O)C1CCCO1.[Na+]
InChIInChI=1S/C5H10O5S.Na/c6-5(11(7,8)9)4-2-1-3-10-4;/h4-6H,1-3H2,(H,7,8,9);/q;+1/p-1
InChIKeyBXUJDABGCNDUMN-UHFFFAOYSA-M
XLogP-3.97
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-3.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 sodium hydroxy(oxolan-2-yl)methanesulfonate?
The IUPAC name of sodium hydroxy(oxolan-2-yl)methanesulfonate (CID 103574056) is sodium hydroxy(oxolan-2-yl)methanesulfonate.
What is the SMILES notation for sodium hydroxy(oxolan-2-yl)methanesulfonate?
The canonical SMILES for sodium hydroxy(oxolan-2-yl)methanesulfonate is O=S(=O)([O-])C(O)C1CCCO1.[Na+].
What is the InChIKey of sodium hydroxy(oxolan-2-yl)methanesulfonate?
The InChIKey is BXUJDABGCNDUMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O5S.Na/c6-5(11(7,8)9)4-2-1-3-10-4;/h4-6H,1-3H2,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium hydroxy(oxolan-2-yl)methanesulfonate?
sodium hydroxy(oxolan-2-yl)methanesulfonate has a molecular weight of 204.18 g/mol, XLogP of -3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy(oxolan-2-yl)methanesulfonate is sourced from PubChem (CID 103574056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).