(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol

C26H28O6S — CID 102353072

IUPAC(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccc(S)cc2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H28O6S/c1-30-25-24(29)23(28)22(27)21(32-25)16-31-26(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-12-14-20(33)15-13-19/h2-15,21-25,27-29,33H,16H2,1H3/t21-,22-,23+,24-,25+/m1/s1
InChIKeyULAYSPKYLDDSBO-RXFVIIJJSA-N
MW468.57 g/mol
LogP2.74
Rot. Bonds7

About (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 102353072) has the molecular formula C26H28O6S and a molecular weight of 468.57 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol
PubChem CID102353072
Molecular FormulaC26H28O6S
Molecular Weight468.57 g/mol
Exact Mass468.16
IUPAC Name(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccc(S)cc2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H28O6S/c1-30-25-24(29)23(28)22(27)21(32-25)16-31-26(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-12-14-20(33)15-13-19/h2-15,21-25,27-29,33H,16H2,1H3/t21-,22-,23+,24-,25+/m1/s1
InChIKeyULAYSPKYLDDSBO-RXFVIIJJSA-N
XLogP2.74
TPSA88.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol with MolForge

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Related Compounds

(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
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,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(1R,2S,4R,5S,6R)-2-methoxy-4-(trityloxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15708619
(2R,3R,4R,5R)-4-fluoro-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 101037426
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079
(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(trityloxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 171126524
(2R,3R,4S,5R)-2-decoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 153365555
(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 (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol (CID 102353072) is (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol is CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccc(S)cc2)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is ULAYSPKYLDDSBO-RXFVIIJJSA-N. The full InChI is InChI=1S/C26H28O6S/c1-30-25-24(29)23(28)22(27)21(32-25)16-31-26(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-12-14-20(33)15-13-19/h2-15,21-25,27-29,33H,16H2,1H3/t21-,22-,23+,24-,25+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 468.57 g/mol, XLogP of 2.74, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 102353072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).