(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol

C16H24O6S — CID 11824127

IUPAC(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol
SMILESCOC(OC)[C@@H]1OC(O)(CS(=O)(=O)c2ccccc2)[C@H](C)[C@H]1C
InChIInChI=1S/C16H24O6S/c1-11-12(2)16(17,22-14(11)15(20-3)21-4)10-23(18,19)13-8-6-5-7-9-13/h5-9,11-12,14-15,17H,10H2,1-4H3/t11-,12-,14-,16?/m1/s1
InChIKeyUBEZJAANWILGGG-XMCAMDJDSA-N
MW344.43 g/mol
LogP1.44
Rot. Bonds6

About (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol

(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol (PubChem CID 11824127) has the molecular formula C16H24O6S and a molecular weight of 344.43 g/mol. Its IUPAC name is (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol.

Molecular Properties

Compound Name(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol
PubChem CID11824127
Molecular FormulaC16H24O6S
Molecular Weight344.43 g/mol
Exact Mass344.13
IUPAC Name(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol
SMILESCOC(OC)[C@@H]1OC(O)(CS(=O)(=O)c2ccccc2)[C@H](C)[C@H]1C
InChIInChI=1S/C16H24O6S/c1-11-12(2)16(17,22-14(11)15(20-3)21-4)10-23(18,19)13-8-6-5-7-9-13/h5-9,11-12,14-15,17H,10H2,1-4H3/t11-,12-,14-,16?/m1/s1
InChIKeyUBEZJAANWILGGG-XMCAMDJDSA-N
XLogP1.44
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol?
The IUPAC name of (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol (CID 11824127) is (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol.
What is the SMILES notation for (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol?
The canonical SMILES for (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol is COC(OC)[C@@H]1OC(O)(CS(=O)(=O)c2ccccc2)[C@H](C)[C@H]1C.
What is the InChIKey of (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol?
The InChIKey is UBEZJAANWILGGG-XMCAMDJDSA-N. The full InChI is InChI=1S/C16H24O6S/c1-11-12(2)16(17,22-14(11)15(20-3)21-4)10-23(18,19)13-8-6-5-7-9-13/h5-9,11-12,14-15,17H,10H2,1-4H3/t11-,12-,14-,16?/m1/s1.
What are the key properties of (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol?
(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol has a molecular weight of 344.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol is sourced from PubChem (CID 11824127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).