(2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol

C25H26O4 — CID 57155261

IUPAC(2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol
SMILESCO[C@@H]1C[C@H](O)[C@@H](C(O)C(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C25H26O4/c1-28-22-17-21(26)23(29-22)24(27)25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-24,26-27H,17H2,1H3/t21-,22-,23-,24?/m0/s1
InChIKeyAYKGJAOMZKJQAU-UYRQCKRZSA-N
MW390.48 g/mol
LogP3.50
Rot. Bonds6

About (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol

(2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol (PubChem CID 57155261) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol
PubChem CID57155261
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name(2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol
SMILESCO[C@@H]1C[C@H](O)[C@@H](C(O)C(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C25H26O4/c1-28-22-17-21(26)23(29-22)24(27)25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-24,26-27H,17H2,1H3/t21-,22-,23-,24?/m0/s1
InChIKeyAYKGJAOMZKJQAU-UYRQCKRZSA-N
XLogP3.50
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol?
The IUPAC name of (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol (CID 57155261) is (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol.
What is the SMILES notation for (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol?
The canonical SMILES for (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol is CO[C@@H]1C[C@H](O)[C@@H](C(O)C(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol?
The InChIKey is AYKGJAOMZKJQAU-UYRQCKRZSA-N. The full InChI is InChI=1S/C25H26O4/c1-28-22-17-21(26)23(29-22)24(27)25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-24,26-27H,17H2,1H3/t21-,22-,23-,24?/m0/s1.
What are the key properties of (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol?
(2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol has a molecular weight of 390.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2-(1-hydroxy-2,2,2-triphenylethyl)-5-methoxyoxolan-3-ol is sourced from PubChem (CID 57155261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).