(2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol

C15H30O6S — CID 42632238

IUPAC(2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H30O6S/c1-2-3-4-5-6-7-8-9-10-22(19,20)15-14(18)13(17)12(11-16)21-15/h12-18H,2-11H2,1H3/t12-,13-,14+,15+/m1/s1
InChIKeySFIOCPRSJGLZLG-KBXIAJHMSA-N
MW338.47 g/mol
LogP0.98
Rot. Bonds11

About (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 42632238) has the molecular formula C15H30O6S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID42632238
Molecular FormulaC15H30O6S
Molecular Weight338.47 g/mol
Exact Mass338.18
IUPAC Name(2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H30O6S/c1-2-3-4-5-6-7-8-9-10-22(19,20)15-14(18)13(17)12(11-16)21-15/h12-18H,2-11H2,1H3/t12-,13-,14+,15+/m1/s1
InChIKeySFIOCPRSJGLZLG-KBXIAJHMSA-N
XLogP0.98
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol (CID 42632238) is (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol is CCCCCCCCCCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is SFIOCPRSJGLZLG-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H30O6S/c1-2-3-4-5-6-7-8-9-10-22(19,20)15-14(18)13(17)12(11-16)21-15/h12-18H,2-11H2,1H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 338.47 g/mol, XLogP of 0.98, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-2-decylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 42632238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).