(2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol

C22H28O5 — CID 46881334

IUPAC(2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol
SMILESOC[C@H]1O[C@@H](CCOCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C22H28O5/c23-14-22-19(24)13-21(26-16-18-9-5-2-6-10-18)20(27-22)11-12-25-15-17-7-3-1-4-8-17/h1-10,19-24H,11-16H2/t19-,20-,21+,22+/m0/s1
InChIKeyMONANRYKMPEKTM-FNAHDJPLSA-N
MW372.46 g/mol
LogP2.69
Rot. Bonds9

About (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol

(2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol (PubChem CID 46881334) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol
PubChem CID46881334
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name(2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol
SMILESOC[C@H]1O[C@@H](CCOCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C22H28O5/c23-14-22-19(24)13-21(26-16-18-9-5-2-6-10-18)20(27-22)11-12-25-15-17-7-3-1-4-8-17/h1-10,19-24H,11-16H2/t19-,20-,21+,22+/m0/s1
InChIKeyMONANRYKMPEKTM-FNAHDJPLSA-N
XLogP2.69
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol?
The IUPAC name of (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol (CID 46881334) is (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol is OC[C@H]1O[C@@H](CCOCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol?
The InChIKey is MONANRYKMPEKTM-FNAHDJPLSA-N. The full InChI is InChI=1S/C22H28O5/c23-14-22-19(24)13-21(26-16-18-9-5-2-6-10-18)20(27-22)11-12-25-15-17-7-3-1-4-8-17/h1-10,19-24H,11-16H2/t19-,20-,21+,22+/m0/s1.
What are the key properties of (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol?
(2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol has a molecular weight of 372.46 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2-(hydroxymethyl)-5-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-3-ol is sourced from PubChem (CID 46881334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).