methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate

C15H20O6S — CID 15939229

IUPACmethyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H](OC)C[C@@H](S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C15H20O6S/c1-19-11-8-12(9-14(16)20-2)21-15(10-11)22(17,18)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12-,15+/m0/s1
InChIKeyVYVJWHSNFAQBRM-SLEUVZQESA-N
MW328.39 g/mol
LogP1.54
Rot. Bonds5

About methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate

methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate (PubChem CID 15939229) has the molecular formula C15H20O6S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate
PubChem CID15939229
Molecular FormulaC15H20O6S
Molecular Weight328.39 g/mol
Exact Mass328.10
IUPAC Namemethyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H](OC)C[C@@H](S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C15H20O6S/c1-19-11-8-12(9-14(16)20-2)21-15(10-11)22(17,18)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12-,15+/m0/s1
InChIKeyVYVJWHSNFAQBRM-SLEUVZQESA-N
XLogP1.54
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate with MolForge

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Related Compounds

cis-(6S,16R)-3-(benzenesulfonyl)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione
CID 56673954
Ethyl 2-(benzenesulfonyl)octanoate
CID 15323076
Ethyl 2-(benzenesulfonyl)hexanoate
CID 10379154
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(benzenesulfonylmethyl)oxan-2-yl]methyl acetate
CID 14015827
4-(Benzenesulfonyl)-6-methyloxan-2-one
CID 14056123
4-(Benzenesulfonyl)-6-hexyloxan-2-one
CID 14056124
5-(Benzenesulfonyl)-6-propyloxan-2-one
CID 14291362
5-(benzenesulfonyl)-6-[(E)-prop-1-enyl]oxan-2-one
CID 14291363
5-(Benzenesulfonyl)-6-heptyloxan-2-one
CID 14291364
5-(Benzenesulfonyl)-6-tert-butyloxan-2-one
CID 14291365
Methyl 3-(benzenesulfonyl)-2-ethenyloxane-3-carboxylate
CID 15437502
(6R)-4-(benzenesulfonyl)-6-[(Z)-hept-1-enyl]oxan-2-one
CID 134872523

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate (CID 15939229) is methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate is COC(=O)C[C@@H]1C[C@H](OC)C[C@@H](S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate?
The InChIKey is VYVJWHSNFAQBRM-SLEUVZQESA-N. The full InChI is InChI=1S/C15H20O6S/c1-19-11-8-12(9-14(16)20-2)21-15(10-11)22(17,18)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12-,15+/m0/s1.
What are the key properties of methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate?
methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate has a molecular weight of 328.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate is sourced from PubChem (CID 15939229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).