(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol

C20H22O4 — CID 54252696

IUPAC(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol
SMILESOC[C@H]1OC=C[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C20H22O4/c21-15-18-20(23,14-17-9-5-2-6-10-17)19(22,11-12-24-18)13-16-7-3-1-4-8-16/h1-12,18,21-23H,13-15H2/t18-,19+,20-/m1/s1
InChIKeyQXWSYLRQDJYRMJ-HSALFYBXSA-N
MW326.39 g/mol
LogP1.84
Rot. Bonds5

About (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol

(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol (PubChem CID 54252696) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol
PubChem CID54252696
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol
SMILESOC[C@H]1OC=C[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C20H22O4/c21-15-18-20(23,14-17-9-5-2-6-10-17)19(22,11-12-24-18)13-16-7-3-1-4-8-16/h1-12,18,21-23H,13-15H2/t18-,19+,20-/m1/s1
InChIKeyQXWSYLRQDJYRMJ-HSALFYBXSA-N
XLogP1.84
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91215781
(2R,3S,4R,5S,6S)-3-benzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 70189046
(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol
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(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
2-benzyl-3-ethyloxiran-2-ol
CID 141291266
3-benzyl-3-methyl-2H-furan-2-carboxamide
CID 68648733
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol?
The IUPAC name of (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol (CID 54252696) is (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol is OC[C@H]1OC=C[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol?
The InChIKey is QXWSYLRQDJYRMJ-HSALFYBXSA-N. The full InChI is InChI=1S/C20H22O4/c21-15-18-20(23,14-17-9-5-2-6-10-17)19(22,11-12-24-18)13-16-7-3-1-4-8-16/h1-12,18,21-23H,13-15H2/t18-,19+,20-/m1/s1.
What are the key properties of (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol?
(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol has a molecular weight of 326.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol is sourced from PubChem (CID 54252696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).