[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate

C23H26O6S — CID 11546468

IUPAC[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OCc2ccccc2)[C@H](Sc2ccccc2)O[C@H](C)[C@H]1OC(C)=O
InChIInChI=1S/C23H26O6S/c1-15-20(28-16(2)24)21(29-17(3)25)22(26-14-18-10-6-4-7-11-18)23(27-15)30-19-12-8-5-9-13-19/h4-13,15,20-23H,14H2,1-3H3/t15-,20-,21-,22-,23+/m1/s1
InChIKeyOESKCJVZEVEFLO-XTSSOZKMSA-N
MW430.52 g/mol
LogP3.97
Rot. Bonds7

About [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate

[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate (PubChem CID 11546468) has the molecular formula C23H26O6S and a molecular weight of 430.52 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate
PubChem CID11546468
Molecular FormulaC23H26O6S
Molecular Weight430.52 g/mol
Exact Mass430.15
IUPAC Name[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OCc2ccccc2)[C@H](Sc2ccccc2)O[C@H](C)[C@H]1OC(C)=O
InChIInChI=1S/C23H26O6S/c1-15-20(28-16(2)24)21(29-17(3)25)22(26-14-18-10-6-4-7-11-18)23(27-15)30-19-12-8-5-9-13-19/h4-13,15,20-23H,14H2,1-3H3/t15-,20-,21-,22-,23+/m1/s1
InChIKeyOESKCJVZEVEFLO-XTSSOZKMSA-N
XLogP3.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[(3R,6R)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] acetate
CID 134841126
[(2S,3S,4S,5S,6R)-2-formyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-yl] acetate
CID 71613613
[(3R,5S,6R)-6-methyl-5-phenylmethoxy-2-phenylsulfanyloxan-3-yl] acetate
CID 101018955
[(3R,5R,6R)-6-methyl-5-phenylmethoxy-2-phenylsulfanyloxan-3-yl] acetate
CID 101018956
[(3R,6S)-4-acetyloxy-6-ethylsulfanyl-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 138981486
[(3S,4R,6S)-2-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-yl] 4-(methylamino)-4-oxobutanoate
CID 58676468
[(2S,3R,4R,5S,6S)-6-methyl-2-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 14131744
[(3S,4S,6S)-4-acetyloxy-5-benzoyloxy-2-methyl-6-phenylsulfanyloxan-3-yl] benzoate
CID 71122940
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylmethoxyoxan-3-yl] acetate
CID 2747755
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-4-phenylmethoxy-6-phenylsulfanyloxan-2-yl]methyl acetate
CID 101117613
[(2R,3R,4S,5R,6S)-3,5-diacetyloxy-4-phenylmethoxy-6-phenylsulfanyloxan-2-yl]methyl acetate
CID 11294737

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate (CID 11546468) is [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate is CC(=O)O[C@H]1[C@@H](OCc2ccccc2)[C@H](Sc2ccccc2)O[C@H](C)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate?
The InChIKey is OESKCJVZEVEFLO-XTSSOZKMSA-N. The full InChI is InChI=1S/C23H26O6S/c1-15-20(28-16(2)24)21(29-17(3)25)22(26-14-18-10-6-4-7-11-18)23(27-15)30-19-12-8-5-9-13-19/h4-13,15,20-23H,14H2,1-3H3/t15-,20-,21-,22-,23+/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate?
[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate has a molecular weight of 430.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate is sourced from PubChem (CID 11546468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).