[(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate

C11H18O5S — CID 10934280

IUPAC[(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate
SMILESCCS[C@H]1CC(OC(C)=O)O[C@@H]1COC(C)=O
InChIInChI=1S/C11H18O5S/c1-4-17-10-5-11(15-8(3)13)16-9(10)6-14-7(2)12/h9-11H,4-6H2,1-3H3/t9-,10+,11?/m1/s1
InChIKeyBRCUPNBOPWCXHX-JKIOLJMWSA-N
MW262.33 g/mol
LogP1.35
Rot. Bonds5

About [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate

[(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate (PubChem CID 10934280) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate
PubChem CID10934280
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name[(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate
SMILESCCS[C@H]1CC(OC(C)=O)O[C@@H]1COC(C)=O
InChIInChI=1S/C11H18O5S/c1-4-17-10-5-11(15-8(3)13)16-9(10)6-14-7(2)12/h9-11H,4-6H2,1-3H3/t9-,10+,11?/m1/s1
InChIKeyBRCUPNBOPWCXHX-JKIOLJMWSA-N
XLogP1.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R,5S)-2-acetyloxy-5-(acetylsulfanylmethyl)-4-fluorooxolan-3-yl] acetate
CID 91064451
1,2,3-Tri-o-acetyl-5-deoxy-5-methylthio-beta-d-ribofuranose
CID 69970118
[(2R,3R)-2-acetylsulfanyl-3-fluoro-3-[(4S,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]propyl] acetate
CID 117681371
[(2S,3S,4R)-3,4-diacetyloxy-5-methoxythiolan-2-yl]methyl acetate
CID 15538301
1,3,5,6-Tetra-o-acetyl-2-s-ethyl-2-thiohexofuranose
CID 290125
Xylopyranoside, methyl 4-thio-, triacetate, alpha-d-
CID 540093
5,6-Di-O-acetyl-3-S-acetyl-1,2-O-isopropylidene-3-thioalphad-allofuranose
CID 6420469
[(2S,3R,4R,5S)-3-acetyloxy-5-acetylsulfanyl-2-methoxyoxan-4-yl] acetate
CID 10542680
[(3S,4S,5S,6S)-5-acetyloxy-4-acetylsulfanyl-6-methoxyoxan-3-yl] acetate
CID 10804582
Uumwqlqkxqwrak-hsnkuxoksa-
CID 13889040
[(2R,3R,5S,6S)-5-acetyloxy-6-propan-2-yloxy-3-propan-2-ylsulfanyloxan-2-yl]methyl acetate
CID 101189212
[(2R,3R,5R,6S)-5-acetyloxy-6-propan-2-yloxy-3-propan-2-ylsulfanyloxan-2-yl]methyl acetate
CID 101189213

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate (CID 10934280) is [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate is CCS[C@H]1CC(OC(C)=O)O[C@@H]1COC(C)=O.
What is the InChIKey of [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate?
The InChIKey is BRCUPNBOPWCXHX-JKIOLJMWSA-N. The full InChI is InChI=1S/C11H18O5S/c1-4-17-10-5-11(15-8(3)13)16-9(10)6-14-7(2)12/h9-11H,4-6H2,1-3H3/t9-,10+,11?/m1/s1.
What are the key properties of [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate?
[(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate has a molecular weight of 262.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-acetyloxy-3-ethylsulfanyloxolan-2-yl]methyl acetate is sourced from PubChem (CID 10934280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).