(2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one

C26H30O6S — CID 10874363

IUPAC(2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one
SMILESCO[C@H]1O[C@@](C)(c2ccccc2)C(=O)C[C@@H]1S[C@H]1CC(=O)[C@](C)(c2ccccc2)O[C@@H]1OC
InChIInChI=1S/C26H30O6S/c1-25(17-11-7-5-8-12-17)21(27)15-19(23(29-3)31-25)33-20-16-22(28)26(2,32-24(20)30-4)18-13-9-6-10-14-18/h5-14,19-20,23-24H,15-16H2,1-4H3/t19-,20-,23-,24-,25-,26-/m0/s1
InChIKeyOJNNAMMQNQIMLQ-CGZLHFDMSA-N
MW470.59 g/mol
LogP4.21
Rot. Bonds6

About (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one

(2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one (PubChem CID 10874363) has the molecular formula C26H30O6S and a molecular weight of 470.59 g/mol. Its IUPAC name is (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one.

Molecular Properties

Compound Name(2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one
PubChem CID10874363
Molecular FormulaC26H30O6S
Molecular Weight470.59 g/mol
Exact Mass470.18
IUPAC Name(2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one
SMILESCO[C@H]1O[C@@](C)(c2ccccc2)C(=O)C[C@@H]1S[C@H]1CC(=O)[C@](C)(c2ccccc2)O[C@@H]1OC
InChIInChI=1S/C26H30O6S/c1-25(17-11-7-5-8-12-17)21(27)15-19(23(29-3)31-25)33-20-16-22(28)26(2,32-24(20)30-4)18-13-9-6-10-14-18/h5-14,19-20,23-24H,15-16H2,1-4H3/t19-,20-,23-,24-,25-,26-/m0/s1
InChIKeyOJNNAMMQNQIMLQ-CGZLHFDMSA-N
XLogP4.21
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-(benzenesulfinyl)-3-[(4S,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-1-one
CID 10507544
S-ethyl (2S)-2-(oxan-2-yloxy)-2-phenylethanethioate
CID 135077940
S-ethyl (2R)-2-(oxan-2-yloxy)-2-phenylethanethioate
CID 11140502
[(2R,3R,6S)-5-oxo-6-phenylmethoxy-3-propan-2-ylsulfanyloxan-2-yl]methyl acetate
CID 101189196
[(2R,3R,6S)-3-benzylsulfanyl-5-oxo-6-phenylmethoxyoxan-2-yl]methyl acetate
CID 101189197
2-[6-[5-(Oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane
CID 10187667
2,12-Bis(oxan-2-yloxy)-2,12-diphenyltridecan-7-one
CID 23431421
(2S,5S,6S)-6-methoxy-2-methyl-2-(4-phenylphenyl)-5-propylsulfanyloxan-3-one
CID 10883168
S-[3-[3-[(2R)-2-(oxan-2-yloxy)-2-phenylacetyl]sulfanylpropylsulfinylsulfanyl]propyl] (2R)-2-(oxan-2-yloxy)-2-phenylethanethioate
CID 10952477
(2S,5R,6S)-2-[4-(benzenesulfonyl)phenyl]-5-benzylsulfanyl-6-methoxy-2-methyloxan-3-one
CID 10994492
(2S,5S,6S)-2-[4-(benzenesulfonyl)phenyl]-5-benzylsulfanyl-6-methoxy-2-methyloxan-3-one
CID 11059924
(2S,5S,6S)-6-methoxy-5-[(2R,3R,6R)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one
CID 11812717

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one?
The IUPAC name of (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one (CID 10874363) is (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one.
What is the SMILES notation for (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one?
The canonical SMILES for (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one is CO[C@H]1O[C@@](C)(c2ccccc2)C(=O)C[C@@H]1S[C@H]1CC(=O)[C@](C)(c2ccccc2)O[C@@H]1OC.
What is the InChIKey of (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one?
The InChIKey is OJNNAMMQNQIMLQ-CGZLHFDMSA-N. The full InChI is InChI=1S/C26H30O6S/c1-25(17-11-7-5-8-12-17)21(27)15-19(23(29-3)31-25)33-20-16-22(28)26(2,32-24(20)30-4)18-13-9-6-10-14-18/h5-14,19-20,23-24H,15-16H2,1-4H3/t19-,20-,23-,24-,25-,26-/m0/s1.
What are the key properties of (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one?
(2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one has a molecular weight of 470.59 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6S)-6-methoxy-5-[(2S,3S,6S)-2-methoxy-6-methyl-5-oxo-6-phenyloxan-3-yl]sulfanyl-2-methyl-2-phenyloxan-3-one is sourced from PubChem (CID 10874363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).