(2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol

C20H24O4S — CID 176755855

IUPAC(2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol
SMILESCc1ccc(S[C@H]2O[C@H](C)[C@@H](OCc3ccccc3)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C20H24O4S/c1-13-8-10-16(11-9-13)25-20-18(22)17(21)19(14(2)24-20)23-12-15-6-4-3-5-7-15/h3-11,14,17-22H,12H2,1-2H3/t14-,17-,18+,19-,20-/m1/s1
InChIKeyOMGJOXXWQPCDLT-LWUBGYQZSA-N
MW360.48 g/mol
LogP3.14
Rot. Bonds5

About (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol

(2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol (PubChem CID 176755855) has the molecular formula C20H24O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol
PubChem CID176755855
Molecular FormulaC20H24O4S
Molecular Weight360.48 g/mol
Exact Mass360.14
IUPAC Name(2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol
SMILESCc1ccc(S[C@H]2O[C@H](C)[C@@H](OCc3ccccc3)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C20H24O4S/c1-13-8-10-16(11-9-13)25-20-18(22)17(21)19(14(2)24-20)23-12-15-6-4-3-5-7-15/h3-11,14,17-22H,12H2,1-2H3/t14-,17-,18+,19-,20-/m1/s1
InChIKeyOMGJOXXWQPCDLT-LWUBGYQZSA-N
XLogP3.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol with MolForge

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Related Compounds

(2S,3R,4R,5S)-2-methyl-6-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)oxane
CID 90477086
(2S,3R,4S,5R,6S)-5-methoxy-6-methyl-2-phenylsulfanyloxane-3,4-diol
CID 101130775
[(2S,3R,4R,5S,6S)-4-(2-chloroacetyl)oxy-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 44598557
[(2R,3R,4S,5R,6S)-4-hydroxy-6-(4-methylphenyl)sulfanyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 11762932
(2R,3R,4R,5R)-2-(4-methylphenyl)sulfanyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 100949256
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate
CID 11546468
[(2R,3S,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-6-(4-methylphenyl)sulfanyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 171773771
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane
CID 101470570

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol (CID 176755855) is (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol is Cc1ccc(S[C@H]2O[C@H](C)[C@@H](OCc3ccccc3)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol?
The InChIKey is OMGJOXXWQPCDLT-LWUBGYQZSA-N. The full InChI is InChI=1S/C20H24O4S/c1-13-8-10-16(11-9-13)25-20-18(22)17(21)19(14(2)24-20)23-12-15-6-4-3-5-7-15/h3-11,14,17-22H,12H2,1-2H3/t14-,17-,18+,19-,20-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol?
(2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol has a molecular weight of 360.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 176755855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).