(2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol

C32H32O4S — CID 101261442

IUPAC(2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](Sc2ccc(C)cc2)[C@@H]1O
InChIInChI=1S/C32H32O4S/c1-23-18-20-27(21-19-23)37-30-28(36-31(34-2)29(30)33)22-35-32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,28-31,33H,22H2,1-2H3/t28-,29+,30-,31+/m1/s1
InChIKeyNNATXWZEKPLJAF-ITGKQZKFSA-N
MW512.67 g/mol
LogP6.20
Rot. Bonds9

About (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol

(2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol (PubChem CID 101261442) has the molecular formula C32H32O4S and a molecular weight of 512.67 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol
PubChem CID101261442
Molecular FormulaC32H32O4S
Molecular Weight512.67 g/mol
Exact Mass512.20
IUPAC Name(2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](Sc2ccc(C)cc2)[C@@H]1O
InChIInChI=1S/C32H32O4S/c1-23-18-20-27(21-19-23)37-30-28(36-31(34-2)29(30)33)22-35-32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,28-31,33H,22H2,1-2H3/t28-,29+,30-,31+/m1/s1
InChIKeyNNATXWZEKPLJAF-ITGKQZKFSA-N
XLogP6.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.67
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2S,3R,4S,5S,6R)-2-(4-methylphenyl)sulfanyl-6-(trityloxymethyl)oxane-3,4,5-triol
CID 11203329
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
(2R,3R,4R,5R)-4-fluoro-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 101037426
[(2S,3S,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-(trityloxymethyl)oxan-4-yl] 4-methylbenzenesulfonate
CID 165342375
(1R,2S,4R,5S,6R)-2-methoxy-4-(trityloxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15708619
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol
CID 102353072
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol (CID 101261442) is (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol is CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](Sc2ccc(C)cc2)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol?
The InChIKey is NNATXWZEKPLJAF-ITGKQZKFSA-N. The full InChI is InChI=1S/C32H32O4S/c1-23-18-20-27(21-19-23)37-30-28(36-31(34-2)29(30)33)22-35-32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,28-31,33H,22H2,1-2H3/t28-,29+,30-,31+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol?
(2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol has a molecular weight of 512.67 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-methoxy-4-(4-methylphenyl)sulfanyl-5-(trityloxymethyl)oxolan-3-ol is sourced from PubChem (CID 101261442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).