(2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane

C15H22O6S — CID 134937109

IUPAC(2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane
SMILES[2H][C@@]1(S(=O)(=O)c2ccccc2)C[C@@H](OC)[C@H](OC)[C@@H](COC)O1
InChIInChI=1S/C15H22O6S/c1-18-10-13-15(20-3)12(19-2)9-14(21-13)22(16,17)11-7-5-4-6-8-11/h4-8,12-15H,9-10H2,1-3H3/t12-,13-,14-,15+/m1/s1/i14D
InChIKeyXUSJWRVMWCLRLS-AZPRHOTGSA-N
MW331.41 g/mol
LogP1.25
Rot. Bonds6

About (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane

(2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane (PubChem CID 134937109) has the molecular formula C15H22O6S and a molecular weight of 331.41 g/mol. Its IUPAC name is (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name(2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane
PubChem CID134937109
Molecular FormulaC15H22O6S
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC Name(2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane
SMILES[2H][C@@]1(S(=O)(=O)c2ccccc2)C[C@@H](OC)[C@H](OC)[C@@H](COC)O1
InChIInChI=1S/C15H22O6S/c1-18-10-13-15(20-3)12(19-2)9-14(21-13)22(16,17)11-7-5-4-6-8-11/h4-8,12-15H,9-10H2,1-3H3/t12-,13-,14-,15+/m1/s1/i14D
InChIKeyXUSJWRVMWCLRLS-AZPRHOTGSA-N
XLogP1.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane with MolForge

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Related Compounds

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CID 2802071
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alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
Phenyl beta-D-thiogalactopyranoside
CID 314404
[3-(Benzenesulfonyl)-4-methylsulfonyloxybutyl] methanesulfonate
CID 282525
2-(Benzenesulfonyl)-3-propyloxirane
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2-Octoxyethylsulfonylbenzene
CID 44377556
(2S,3S,4S,5S,6S)-2-(benzenesulfonylmethyl)-6-methoxyoxane-3,4,5-triol
CID 127028585
[(2S,3S,4S,5S,6R)-4,5-diacetyloxy-2-(fluoromethyl)-6-phenylsulfanyloxan-3-yl] acetate
CID 101433829
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
2-[2-(Benzenesulfonyl)-1,1-difluoropropyl]-1,4-dioxane
CID 10542679
2-[2-(Benzenesulfonyl)-1,1-difluoropentyl]-1,4-dioxane
CID 10688148

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane (CID 134937109) is (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane is [2H][C@@]1(S(=O)(=O)c2ccccc2)C[C@@H](OC)[C@H](OC)[C@@H](COC)O1.
What is the InChIKey of (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane?
The InChIKey is XUSJWRVMWCLRLS-AZPRHOTGSA-N. The full InChI is InChI=1S/C15H22O6S/c1-18-10-13-15(20-3)12(19-2)9-14(21-13)22(16,17)11-7-5-4-6-8-11/h4-8,12-15H,9-10H2,1-3H3/t12-,13-,14-,15+/m1/s1/i14D.
What are the key properties of (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane?
(2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane has a molecular weight of 331.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S,6R)-2-(benzenesulfonyl)-2-deuterio-4,5-dimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 134937109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).