(3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one

C20H22O6 — CID 11581241

IUPAC(3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one
SMILESO=C1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C20H22O6/c21-17-18(22)20(23)26-16(13-24-11-14-7-3-1-4-8-14)19(17)25-12-15-9-5-2-6-10-15/h1-10,16-19,21-22H,11-13H2/t16-,17+,18+,19-/m0/s1
InChIKeyPERCOEZVOYTSAU-MANSERQUSA-N
MW358.39 g/mol
LogP1.44
Rot. Bonds7

About (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one

(3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one (PubChem CID 11581241) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one.

Molecular Properties

Compound Name(3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one
PubChem CID11581241
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name(3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one
SMILESO=C1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C20H22O6/c21-17-18(22)20(23)26-16(13-24-11-14-7-3-1-4-8-14)19(17)25-12-15-9-5-2-6-10-15/h1-10,16-19,21-22H,11-13H2/t16-,17+,18+,19-/m0/s1
InChIKeyPERCOEZVOYTSAU-MANSERQUSA-N
XLogP1.44
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one with MolForge

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Related Compounds

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[(S)-[(2S,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-phenylmethyl] (E)-3-phenylprop-2-enoate
CID 118715700
8,9-Bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one?
The IUPAC name of (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one (CID 11581241) is (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one.
What is the SMILES notation for (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one?
The canonical SMILES for (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one is O=C1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one?
The InChIKey is PERCOEZVOYTSAU-MANSERQUSA-N. The full InChI is InChI=1S/C20H22O6/c21-17-18(22)20(23)26-16(13-24-11-14-7-3-1-4-8-14)19(17)25-12-15-9-5-2-6-10-15/h1-10,16-19,21-22H,11-13H2/t16-,17+,18+,19-/m0/s1.
What are the key properties of (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one?
(3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one has a molecular weight of 358.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6S)-3,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-one is sourced from PubChem (CID 11581241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).