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

C34H36O6 — CID 67771303

IUPAC(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C34H36O6/c35-24-30-32(36,21-26-13-5-1-6-14-26)34(38,23-28-17-9-3-10-18-28)33(37,22-27-15-7-2-8-16-27)31(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-31,35-38H,21-25H2/t30-,31+,32+,33+,34+/m1/s1
InChIKeyYEXDBVRHDLMFEA-OWIQAHIBSA-N
MW540.66 g/mol
LogP3.84
Rot. Bonds10

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

(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol (PubChem CID 67771303) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
PubChem CID67771303
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C34H36O6/c35-24-30-32(36,21-26-13-5-1-6-14-26)34(38,23-28-17-9-3-10-18-28)33(37,22-27-15-7-2-8-16-27)31(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-31,35-38H,21-25H2/t30-,31+,32+,33+,34+/m1/s1
InChIKeyYEXDBVRHDLMFEA-OWIQAHIBSA-N
XLogP3.84
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.66
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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
(2R,3R,4R)-3,4-dibenzyl-2-(hydroxymethyl)-2H-pyran-3,4-diol
CID 54252696
(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57206104
(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol
CID 67924333
(3R,4S,5R,6R)-3,4-dibenzyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,3,4-triol
CID 18664957
(2S,3R,4R,5R)-3,4-dibenzyl-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 141184426
[(4R,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 59975529
[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 163725774
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2S,3S,4S,5R,6S)-4-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,5-diol
CID 93088189

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol (CID 67771303) is (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol is OC[C@H]1O[C@H](OCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
The InChIKey is YEXDBVRHDLMFEA-OWIQAHIBSA-N. The full InChI is InChI=1S/C34H36O6/c35-24-30-32(36,21-26-13-5-1-6-14-26)34(38,23-28-17-9-3-10-18-28)33(37,22-27-15-7-2-8-16-27)31(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-31,35-38H,21-25H2/t30-,31+,32+,33+,34+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol has a molecular weight of 540.66 g/mol, XLogP of 3.84, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol is sourced from PubChem (CID 67771303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).