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

C15H30O6S — CID 5270753

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol
SMILESCCCCCCCCCS(=O)(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H30O6S/c1-2-3-4-5-6-7-8-9-22(19,20)11-13-15(18)14(17)12(10-16)21-13/h12-18H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKeyCPUFKCPFQFHEDU-LXTVHRRPSA-N
MW338.47 g/mol
LogP0.63
Rot. Bonds11

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

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol (PubChem CID 5270753) has the molecular formula C15H30O6S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol
PubChem CID5270753
Molecular FormulaC15H30O6S
Molecular Weight338.47 g/mol
Exact Mass338.18
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol
SMILESCCCCCCCCCS(=O)(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H30O6S/c1-2-3-4-5-6-7-8-9-22(19,20)11-13-15(18)14(17)12(10-16)21-13/h12-18H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKeyCPUFKCPFQFHEDU-LXTVHRRPSA-N
XLogP0.63
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 ≤ 50.63
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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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(icosylsulfonylmethyl)tetrahydrofuran-3,4-diol
CID 5273343
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(10-pentadecoxydecylsulfonylmethyl)tetrahydrofuran-3,4-diol
CID 5273344
(2R,3S,4S,5S,6R)-2-(hexylsulfonyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 46894459
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(octylsulfonyl)tetrahydro-2H-pyran-3,4,5-triol
CID 46894460
Beta-D-Glucopyranosylsulfonylethane
CID 42627167
(2R,3S,4S,5R)-2-(decylsulfonylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 5270754
(2R,3S,4S,5R)-2-(dodecylsulfonylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 5270755
(2R,3S,4S,5R)-2-(hexadecylsulfonylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 5270756
(2R,3S,4S,5R)-2-(3,7-dimethyloctylsulfonylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 5271288
Ethyl 1-thio-alpha-d-galactofuranoside
CID 53639133
ethyl 1-thio-alpha-D-glucofuranoside
CID 107508
d-Mannitol, 1-decylsulfonyl-
CID 568528

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol (CID 5270753) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol is CCCCCCCCCS(=O)(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol?
The InChIKey is CPUFKCPFQFHEDU-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H30O6S/c1-2-3-4-5-6-7-8-9-22(19,20)11-13-15(18)14(17)12(10-16)21-13/h12-18H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol has a molecular weight of 338.47 g/mol, XLogP of 0.63, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)oxolane-3,4-diol is sourced from PubChem (CID 5270753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).