(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol

C26H28O6 — CID 102329501

IUPAC(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
SMILESCOc1ccc(C(OC[C@H]2O[C@H](OC)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O6/c1-29-21-15-13-20(14-16-21)26(18-9-5-3-6-10-18,19-11-7-4-8-12-19)31-17-22-23(27)24(28)25(30-2)32-22/h3-16,22-25,27-28H,17H2,1-2H3/t22-,23-,24-,25+/m1/s1
InChIKeyREOPOTKCGRDTCQ-VPBXCIAMSA-N
MW436.50 g/mol
LogP3.10
Rot. Bonds8

About (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol

(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol (PubChem CID 102329501) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
PubChem CID102329501
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
SMILESCOc1ccc(C(OC[C@H]2O[C@H](OC)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O6/c1-29-21-15-13-20(14-16-21)26(18-9-5-3-6-10-18,19-11-7-4-8-12-19)31-17-22-23(27)24(28)25(30-2)32-22/h3-16,22-25,27-28H,17H2,1-2H3/t22-,23-,24-,25+/m1/s1
InChIKeyREOPOTKCGRDTCQ-VPBXCIAMSA-N
XLogP3.10
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol with MolForge

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Related Compounds

(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
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,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol
CID 102353072
(1R,2S,4R,5S,6R)-2-methoxy-4-(trityloxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15708619
2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-butoxypentoxy)oxane-3,4,5-triol
CID 164788382
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
(2R,3R,4R,5R)-4-fluoro-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 101037426
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
N-[(2S,3S,4R,5R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl]acetamide
CID 57370145

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol (CID 102329501) is (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol is COc1ccc(C(OC[C@H]2O[C@H](OC)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol?
The InChIKey is REOPOTKCGRDTCQ-VPBXCIAMSA-N. The full InChI is InChI=1S/C26H28O6/c1-29-21-15-13-20(14-16-21)26(18-9-5-3-6-10-18,19-11-7-4-8-12-19)31-17-22-23(27)24(28)25(30-2)32-22/h3-16,22-25,27-28H,17H2,1-2H3/t22-,23-,24-,25+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol?
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol has a molecular weight of 436.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol is sourced from PubChem (CID 102329501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).