[(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate

C14H24O6S — CID 70857238

IUPAC[(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate
SMILESCCS[C@@H]1OC(COC(C)=O)C(OC)[C@H](OC(C)=O)C1C
InChIInChI=1S/C14H24O6S/c1-6-21-14-8(2)12(19-10(4)16)13(17-5)11(20-14)7-18-9(3)15/h8,11-14H,6-7H2,1-5H3/t8?,11?,12-,13?,14+/m1/s1
InChIKeyDEIKWKIVRKCAPJ-NOYUWHHISA-N
MW320.41 g/mol
LogP1.61
Rot. Bonds6

About [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate

[(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate (PubChem CID 70857238) has the molecular formula C14H24O6S and a molecular weight of 320.41 g/mol. Its IUPAC name is [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate
PubChem CID70857238
Molecular FormulaC14H24O6S
Molecular Weight320.41 g/mol
Exact Mass320.13
IUPAC Name[(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate
SMILESCCS[C@@H]1OC(COC(C)=O)C(OC)[C@H](OC(C)=O)C1C
InChIInChI=1S/C14H24O6S/c1-6-21-14-8(2)12(19-10(4)16)13(17-5)11(20-14)7-18-9(3)15/h8,11-14H,6-7H2,1-5H3/t8?,11?,12-,13?,14+/m1/s1
InChIKeyDEIKWKIVRKCAPJ-NOYUWHHISA-N
XLogP1.61
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3R,4S,5R,6S)-3,5-diacetyloxy-6-ethylsulfanyl-4-methoxyoxan-2-yl]methyl acetate
CID 22974878
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate
CID 10572588
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate
CID 101019548
(3,5-diacetyloxy-6-ethylsulfanyl-4-hydroxyoxan-2-yl)methyl acetate
CID 138577917
[(4R,6S)-4-acetyloxy-3-azido-6-ethylsulfanyl-5-methyloxan-2-yl]methyl acetate
CID 90700770
[(3S,4S,6S)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]methyl acetate
CID 58919166
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 102497317
[(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-methoxyoxolan-2-yl]methyl acetate
CID 131879100
3-[(2S,3R,4R,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]sulfanylpropanoic acid
CID 170092418
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
CID 67276829
[(3R,6R)-3,4,5-triacetyloxy-6-[(3R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-ethylsulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 70889340

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate?
The IUPAC name of [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate (CID 70857238) is [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate.
What is the SMILES notation for [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate?
The canonical SMILES for [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate is CCS[C@@H]1OC(COC(C)=O)C(OC)[C@H](OC(C)=O)C1C.
What is the InChIKey of [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate?
The InChIKey is DEIKWKIVRKCAPJ-NOYUWHHISA-N. The full InChI is InChI=1S/C14H24O6S/c1-6-21-14-8(2)12(19-10(4)16)13(17-5)11(20-14)7-18-9(3)15/h8,11-14H,6-7H2,1-5H3/t8?,11?,12-,13?,14+/m1/s1.
What are the key properties of [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate?
[(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate has a molecular weight of 320.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-4-acetyloxy-6-ethylsulfanyl-3-methoxy-5-methyloxan-2-yl]methyl acetate is sourced from PubChem (CID 70857238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).