[(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol

C23H26O5 — CID 101410968

IUPAC[(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol
SMILESCOc1ccc([C@@H]2O[C@H](C[C@@H]3O[C@H]3CO)C[C@H](/C=C/c3ccccc3)O2)cc1
InChIInChI=1S/C23H26O5/c1-25-18-11-8-17(9-12-18)23-26-19(10-7-16-5-3-2-4-6-16)13-20(27-23)14-21-22(15-24)28-21/h2-12,19-24H,13-15H2,1H3/b10-7+/t19-,20-,21-,22-,23-/m0/s1
InChIKeyNARSNVFOAYUAKR-WVOUMEJWSA-N
MW382.46 g/mol
LogP3.73
Rot. Bonds7

About [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol

[(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol (PubChem CID 101410968) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol
PubChem CID101410968
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name[(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol
SMILESCOc1ccc([C@@H]2O[C@H](C[C@@H]3O[C@H]3CO)C[C@H](/C=C/c3ccccc3)O2)cc1
InChIInChI=1S/C23H26O5/c1-25-18-11-8-17(9-12-18)23-26-19(10-7-16-5-3-2-4-6-16)13-20(27-23)14-21-22(15-24)28-21/h2-12,19-24H,13-15H2,1H3/b10-7+/t19-,20-,21-,22-,23-/m0/s1
InChIKeyNARSNVFOAYUAKR-WVOUMEJWSA-N
XLogP3.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Salidroside
CID 159278
Salicin
CID 439503
Polydatin
CID 5281718
Coniferin
CID 5280372
Gastrodin
CID 115067
Dihydroconiferin
CID 14427336
Vanilloloside
CID 44577222
Thymol beta-D-glucopyranoside
CID 88687
beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
CID 5145
Sergliflozin Etabonate
CID 9824918
cis-Piceid
CID 10178463
Niazirinin
CID 10426197

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol (CID 101410968) is [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol is COc1ccc([C@@H]2O[C@H](C[C@@H]3O[C@H]3CO)C[C@H](/C=C/c3ccccc3)O2)cc1.
What is the InChIKey of [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol?
The InChIKey is NARSNVFOAYUAKR-WVOUMEJWSA-N. The full InChI is InChI=1S/C23H26O5/c1-25-18-11-8-17(9-12-18)23-26-19(10-7-16-5-3-2-4-6-16)13-20(27-23)14-21-22(15-24)28-21/h2-12,19-24H,13-15H2,1H3/b10-7+/t19-,20-,21-,22-,23-/m0/s1.
What are the key properties of [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol?
[(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol has a molecular weight of 382.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[[(2R,4S,6R)-2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]-1,3-dioxan-4-yl]methyl]oxiran-2-yl]methanol is sourced from PubChem (CID 101410968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).