[(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate

C14H16O7S — CID 11313432

IUPAC[(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate
SMILESCCOC(=O)O[C@H]1COC(=O)C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H16O7S/c1-2-19-14(16)21-10-8-12(13(15)20-9-10)22(17,18)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-,12?/m1/s1
InChIKeyVQCPEMVYYAAGMA-RWANSRKNSA-N
MW328.34 g/mol
LogP1.32
Rot. Bonds4

About [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate

[(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate (PubChem CID 11313432) has the molecular formula C14H16O7S and a molecular weight of 328.34 g/mol. Its IUPAC name is [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate
PubChem CID11313432
Molecular FormulaC14H16O7S
Molecular Weight328.34 g/mol
Exact Mass328.06
IUPAC Name[(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate
SMILESCCOC(=O)O[C@H]1COC(=O)C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H16O7S/c1-2-19-14(16)21-10-8-12(13(15)20-9-10)22(17,18)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-,12?/m1/s1
InChIKeyVQCPEMVYYAAGMA-RWANSRKNSA-N
XLogP1.32
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

beta-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetate
CID 2728906
9-(Benzenesulfonylmethyl)-9-methyl-7,10,11-trioxaspiro[5.5]undecan-3-one
CID 11645814
2-(Benzenesulfonyl)heptan-3-yl acetate
CID 12776942
2-(Phenylsulfonyl)butanoic acid ethyl ester
CID 15130523
Ethyl 2-(benzenesulfonyl)hexanoate
CID 10379154
Methyl 4-(benzenesulfonyl)-2,2-dimethoxypentanoate
CID 10870810
[(2R,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-(benzenesulfonyl)oxan-2-yl]methyl acetate
CID 11038039
(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one
CID 11064511
[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
CID 11337799
methyl (3S,4R)-2-(benzenesulfonyl)-4-(methoxymethoxy)-3-methylpentanoate
CID 11727248
4-(Benzenesulfonyl)-6-methyloxan-2-one
CID 14056123
4-(Benzenesulfonyl)-6-hexyloxan-2-one
CID 14056124

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate?
The IUPAC name of [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate (CID 11313432) is [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate.
What is the SMILES notation for [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate?
The canonical SMILES for [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate is CCOC(=O)O[C@H]1COC(=O)C(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate?
The InChIKey is VQCPEMVYYAAGMA-RWANSRKNSA-N. The full InChI is InChI=1S/C14H16O7S/c1-2-19-14(16)21-10-8-12(13(15)20-9-10)22(17,18)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-,12?/m1/s1.
What are the key properties of [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate?
[(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate has a molecular weight of 328.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-(benzenesulfonyl)-6-oxooxan-3-yl] ethyl carbonate is sourced from PubChem (CID 11313432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).