(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol

C31H31NO5 — CID 46919604

IUPAC(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](c3ccccn3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H31NO5/c1-34-25-15-11-23(12-16-25)31(22-8-4-3-5-9-22,24-13-17-26(35-2)18-14-24)36-21-30-28(33)20-29(37-30)27-10-6-7-19-32-27/h3-19,28-30,33H,20-21H2,1-2H3/t28-,29+,30+/m0/s1
InChIKeyIWTJBTHXWLFFDH-FRXPANAUSA-N
MW497.59 g/mol
LogP5.30
Rot. Bonds9

About (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol

(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol (PubChem CID 46919604) has the molecular formula C31H31NO5 and a molecular weight of 497.59 g/mol. Its IUPAC name is (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol
PubChem CID46919604
Molecular FormulaC31H31NO5
Molecular Weight497.59 g/mol
Exact Mass497.22
IUPAC Name(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](c3ccccn3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H31NO5/c1-34-25-15-11-23(12-16-25)31(22-8-4-3-5-9-22,24-13-17-26(35-2)18-14-24)36-21-30-28(33)20-29(37-30)27-10-6-7-19-32-27/h3-19,28-30,33H,20-21H2,1-2H3/t28-,29+,30+/m0/s1
InChIKeyIWTJBTHXWLFFDH-FRXPANAUSA-N
XLogP5.30
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol with MolForge

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Related Compounds

(5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-3-yloxolan-3-ol
CID 58776111
CID 89240141
CID 89240141
(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(4-iodoimidazol-1-yl)oxolan-3-ol
CID 24773384
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
S-benzyl (2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolane-2-carbothioate
CID 10603138
(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol
CID 90169008
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,3,7,8-tetrahydropurin-9-yl)oxolan-3-ol
CID 169087815
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol (CID 46919604) is (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol is COc1ccc(C(OC[C@H]2O[C@@H](c3ccccn3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol?
The InChIKey is IWTJBTHXWLFFDH-FRXPANAUSA-N. The full InChI is InChI=1S/C31H31NO5/c1-34-25-15-11-23(12-16-25)31(22-8-4-3-5-9-22,24-13-17-26(35-2)18-14-24)36-21-30-28(33)20-29(37-30)27-10-6-7-19-32-27/h3-19,28-30,33H,20-21H2,1-2H3/t28-,29+,30+/m0/s1.
What are the key properties of (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol?
(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol has a molecular weight of 497.59 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol is sourced from PubChem (CID 46919604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).