[(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate

C12H20O6S — CID 131879100

IUPAC[(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate
SMILESCCS[C@@H]1[C@H](OC)O[C@H](COC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C12H20O6S/c1-5-19-11-10(17-8(3)14)9(6-16-7(2)13)18-12(11)15-4/h9-12H,5-6H2,1-4H3/t9-,10-,11+,12-/m1/s1
InChIKeyANGUFFVFKADGRP-WISYIIOYSA-N
MW292.35 g/mol
LogP0.97
Rot. Bonds6

About [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate

[(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate (PubChem CID 131879100) has the molecular formula C12H20O6S and a molecular weight of 292.35 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate
PubChem CID131879100
Molecular FormulaC12H20O6S
Molecular Weight292.35 g/mol
Exact Mass292.10
IUPAC Name[(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate
SMILESCCS[C@@H]1[C@H](OC)O[C@H](COC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C12H20O6S/c1-5-19-11-10(17-8(3)14)9(6-16-7(2)13)18-12(11)15-4/h9-12H,5-6H2,1-4H3/t9-,10-,11+,12-/m1/s1
InChIKeyANGUFFVFKADGRP-WISYIIOYSA-N
XLogP0.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate with MolForge

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Related Compounds

[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-5-acetylsulfanyl-6-methoxyoxan-2-yl]methyl acetate
CID 10619645
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-methoxy-5-[(3S,4S,5R,6R)-2,3,5-triacetyloxy-6-(acetyloxymethyl)oxan-4-yl]sulfanyloxan-2-yl]methyl acetate
CID 46206405
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975
[(3R,4S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 70864054
[(3R,4S,5R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050229
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017
[(3R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050578
[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452
[(2S,3R,4S,5R,6S)-3,5-diacetyloxy-6-ethylsulfanyl-4-methoxyoxan-2-yl]methyl acetate
CID 22974878
[(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate
CID 70857238
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate
CID 10572588

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate (CID 131879100) is [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate is CCS[C@@H]1[C@H](OC)O[C@H](COC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate?
The InChIKey is ANGUFFVFKADGRP-WISYIIOYSA-N. The full InChI is InChI=1S/C12H20O6S/c1-5-19-11-10(17-8(3)14)9(6-16-7(2)13)18-12(11)15-4/h9-12H,5-6H2,1-4H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate?
[(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate has a molecular weight of 292.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 131879100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).