(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol

C20H24O6 — CID 91215781

IUPAC(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
SMILESOC[C@H]1O[C@H](O)[C@@H](OCc2ccccc2)[C@@H](O)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C20H24O6/c21-12-16-20(24,11-14-7-3-1-4-8-14)18(22)17(19(23)26-16)25-13-15-9-5-2-6-10-15/h1-10,16-19,21-24H,11-13H2/t16-,17+,18-,19+,20-/m1/s1
InChIKeyCHSSHWGPHOMFFH-UJMXGEILSA-N
MW360.41 g/mol
LogP0.62
Rot. Bonds6

About (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol

(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol (PubChem CID 91215781) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
PubChem CID91215781
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
SMILESOC[C@H]1O[C@H](O)[C@@H](OCc2ccccc2)[C@@H](O)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C20H24O6/c21-12-16-20(24,11-14-7-3-1-4-8-14)18(22)17(19(23)26-16)25-13-15-9-5-2-6-10-15/h1-10,16-19,21-24H,11-13H2/t16-,17+,18-,19+,20-/m1/s1
InChIKeyCHSSHWGPHOMFFH-UJMXGEILSA-N
XLogP0.62
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol with MolForge

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Related Compounds

(2R,3S,4R,5S,6S)-3-benzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 70189046
(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57206104
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 67771303
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol?
The IUPAC name of (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol (CID 91215781) is (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol is OC[C@H]1O[C@H](O)[C@@H](OCc2ccccc2)[C@@H](O)[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol?
The InChIKey is CHSSHWGPHOMFFH-UJMXGEILSA-N. The full InChI is InChI=1S/C20H24O6/c21-12-16-20(24,11-14-7-3-1-4-8-14)18(22)17(19(23)26-16)25-13-15-9-5-2-6-10-15/h1-10,16-19,21-24H,11-13H2/t16-,17+,18-,19+,20-/m1/s1.
What are the key properties of (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol?
(2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol has a molecular weight of 360.41 g/mol, XLogP of 0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol is sourced from PubChem (CID 91215781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).