(2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane

C36H34O4S — CID 101470570

IUPAC(2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane
SMILESC[C@@H]1O[C@@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@H](Oc2ccc3ccccc3c2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C36H34O4S/c1-26-33(37-24-27-13-5-2-6-14-27)34(40-31-22-21-29-17-11-12-18-30(29)23-31)35(38-25-28-15-7-3-8-16-28)36(39-26)41-32-19-9-4-10-20-32/h2-23,26,33-36H,24-25H2,1H3/t26-,33+,34+,35-,36-/m0/s1
InChIKeyQAVGWHVLABDZQK-SGEHOYDZSA-N
MW562.73 g/mol
LogP8.30
Rot. Bonds10

About (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane

(2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane (PubChem CID 101470570) has the molecular formula C36H34O4S and a molecular weight of 562.73 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane
PubChem CID101470570
Molecular FormulaC36H34O4S
Molecular Weight562.73 g/mol
Exact Mass562.22
IUPAC Name(2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane
SMILESC[C@@H]1O[C@@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@H](Oc2ccc3ccccc3c2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C36H34O4S/c1-26-33(37-24-27-13-5-2-6-14-27)34(40-31-22-21-29-17-11-12-18-30(29)23-31)35(38-25-28-15-7-3-8-16-28)36(39-26)41-32-19-9-4-10-20-32/h2-23,26,33-36H,24-25H2,1H3/t26-,33+,34+,35-,36-/m0/s1
InChIKeyQAVGWHVLABDZQK-SGEHOYDZSA-N
XLogP8.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.73
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane 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
[(2R,3R,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate
CID 11546468
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4-(naphthalen-2-ylmethoxy)-5-phenylmethoxy-6-phenylsulfanyloxan-3-ol
CID 11961727
(3S,4S,5R,6R)-2-naphthalen-2-ylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10963493
[(2S,3S,4R,5R,6R)-3-(naphthalen-2-ylmethoxy)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methyl acetate
CID 25194068
(3aS,4S,6R,7R,7aR)-4-methyl-7-phenylmethoxy-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 11025112
(2R,3S,4R,5S,6R)-6-methyl-2-(4-methylphenyl)sulfanyl-5-phenylmethoxyoxane-3,4-diol
CID 176755855
(2R,3R,4S,5R)-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 102575527
(2S,3S,4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylic acid
CID 132933787
(2R,4aR,6R,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71623608
(2S,3R,4S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methyl-6-phenylsulfanyloxan-4-ol
CID 11225595
(2R,3R,4R,6R)-6-(4-methoxyphenoxy)-2-methyl-3-[(2S,4R,5R,6R)-6-methyl-4-naphthalen-2-yloxy-5-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxyoxane
CID 177454375

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane?
The IUPAC name of (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane (CID 101470570) is (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane.
What is the SMILES notation for (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane?
The canonical SMILES for (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane is C[C@@H]1O[C@@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@H](Oc2ccc3ccccc3c2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane?
The InChIKey is QAVGWHVLABDZQK-SGEHOYDZSA-N. The full InChI is InChI=1S/C36H34O4S/c1-26-33(37-24-27-13-5-2-6-14-27)34(40-31-22-21-29-17-11-12-18-30(29)23-31)35(38-25-28-15-7-3-8-16-28)36(39-26)41-32-19-9-4-10-20-32/h2-23,26,33-36H,24-25H2,1H3/t26-,33+,34+,35-,36-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane?
(2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane has a molecular weight of 562.73 g/mol, XLogP of 8.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-2-methyl-4-naphthalen-2-yloxy-3,5-bis(phenylmethoxy)-6-phenylsulfanyloxane is sourced from PubChem (CID 101470570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).