(2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol

C15H22O6 — CID 167261885

IUPAC(2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol
SMILESCOc1ccc(C(O)OC[C@@H]2C[C@@H](O)C[C@@H](CO)O2)cc1
InChIInChI=1S/C15H22O6/c1-19-12-4-2-10(3-5-12)15(18)20-9-14-7-11(17)6-13(8-16)21-14/h2-5,11,13-18H,6-9H2,1H3/t11-,13-,14-,15?/m0/s1
InChIKeyGNPYRMZZEZZCEO-YMYGFNRBSA-N
MW298.33 g/mol
LogP0.60
Rot. Bonds6

About (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol

(2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol (PubChem CID 167261885) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol
PubChem CID167261885
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name(2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol
SMILESCOc1ccc(C(O)OC[C@@H]2C[C@@H](O)C[C@@H](CO)O2)cc1
InChIInChI=1S/C15H22O6/c1-19-12-4-2-10(3-5-12)15(18)20-9-14-7-11(17)6-13(8-16)21-14/h2-5,11,13-18H,6-9H2,1H3/t11-,13-,14-,15?/m0/s1
InChIKeyGNPYRMZZEZZCEO-YMYGFNRBSA-N
XLogP0.60
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol (CID 167261885) is (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol is COc1ccc(C(O)OC[C@@H]2C[C@@H](O)C[C@@H](CO)O2)cc1.
What is the InChIKey of (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is GNPYRMZZEZZCEO-YMYGFNRBSA-N. The full InChI is InChI=1S/C15H22O6/c1-19-12-4-2-10(3-5-12)15(18)20-9-14-7-11(17)6-13(8-16)21-14/h2-5,11,13-18H,6-9H2,1H3/t11-,13-,14-,15?/m0/s1.
What are the key properties of (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol?
(2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 298.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-[[hydroxy-(4-methoxyphenyl)methoxy]methyl]-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 167261885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).