(2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane

C53H50O5S — CID 153310906

IUPAC(2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane
SMILESCc1ccc(S[C@@H]2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C53H50O5S/c1-40-32-34-47(35-33-40)59-52-51(56-38-43-24-12-4-13-25-43)50(55-37-42-22-10-3-11-23-42)49(54-36-41-20-8-2-9-21-41)48(58-52)39-57-53(44-26-14-5-15-27-44,45-28-16-6-17-29-45)46-30-18-7-19-31-46/h2-35,48-52H,36-39H2,1H3/t48?,49-,50-,51?,52-/m0/s1
InChIKeyFCYVJFVSYACVMU-AQVGXITBSA-N
MW799.05 g/mol
LogP11.58
Rot. Bonds17

About (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane

(2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane (PubChem CID 153310906) has the molecular formula C53H50O5S and a molecular weight of 799.05 g/mol. Its IUPAC name is (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane.

Molecular Properties

Compound Name(2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane
PubChem CID153310906
Molecular FormulaC53H50O5S
Molecular Weight799.05 g/mol
Exact Mass798.34
IUPAC Name(2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane
SMILESCc1ccc(S[C@@H]2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C53H50O5S/c1-40-32-34-47(35-33-40)59-52-51(56-38-43-24-12-4-13-25-43)50(55-37-42-22-10-3-11-23-42)49(54-36-41-20-8-2-9-21-41)48(58-52)39-57-53(44-26-14-5-15-27-44,45-28-16-6-17-29-45)46-30-18-7-19-31-46/h2-35,48-52H,36-39H2,1H3/t48?,49-,50-,51?,52-/m0/s1
InChIKeyFCYVJFVSYACVMU-AQVGXITBSA-N
XLogP11.58
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.05
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R)-2-(4-methylphenyl)sulfanyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 100949256
tert-butyl-[[(2R,3S,4S,5S,6S)-6-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane
CID 72736639
(2S,3R,4R,5S)-2-methyl-6-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)oxane
CID 90477086
(2R,3S,4S,5R,6R)-3-ethenoxy-2-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101358593
(2S,3R,4S,5S,6R)-2-(4-methylphenyl)sulfanyl-6-(trityloxymethyl)oxane-3,4,5-triol
CID 11203329
[(2R,3S,4S,5R,6S)-3-acetyloxy-6-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 102308420
[(2R,3S,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-6-(4-methylphenyl)sulfanyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 171773771
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 73113637
(2S,3S,4R,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 101410206
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-phenylsulfanyloxolane
CID 10994846

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane?
The IUPAC name of (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane (CID 153310906) is (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane.
What is the SMILES notation for (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane?
The canonical SMILES for (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane is Cc1ccc(S[C@@H]2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane?
The InChIKey is FCYVJFVSYACVMU-AQVGXITBSA-N. The full InChI is InChI=1S/C53H50O5S/c1-40-32-34-47(35-33-40)59-52-51(56-38-43-24-12-4-13-25-43)50(55-37-42-22-10-3-11-23-42)49(54-36-41-20-8-2-9-21-41)48(58-52)39-57-53(44-26-14-5-15-27-44,45-28-16-6-17-29-45)46-30-18-7-19-31-46/h2-35,48-52H,36-39H2,1H3/t48?,49-,50-,51?,52-/m0/s1.
What are the key properties of (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane?
(2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane has a molecular weight of 799.05 g/mol, XLogP of 11.58, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane is sourced from PubChem (CID 153310906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).