(2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol

C28H32O6 — CID 68849451

IUPAC(2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@H](O)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C28H32O6/c1-33-26-28(32,19-22-15-9-4-10-16-22)27(31,18-21-13-7-3-8-14-21)25(30)24(34-26)23(29)17-20-11-5-2-6-12-20/h2-16,23-26,29-32H,17-19H2,1H3/t23?,24-,25+,26+,27+,28+/m1/s1
InChIKeyNRFULRAXVJHIJZ-OEZCRYOESA-N
MW464.56 g/mol
LogP2.27
Rot. Bonds8

About (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol

(2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol (PubChem CID 68849451) has the molecular formula C28H32O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol
PubChem CID68849451
Molecular FormulaC28H32O6
Molecular Weight464.56 g/mol
Exact Mass464.22
IUPAC Name(2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@H](O)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C28H32O6/c1-33-26-28(32,19-22-15-9-4-10-16-22)27(31,18-21-13-7-3-8-14-21)25(30)24(34-26)23(29)17-20-11-5-2-6-12-20/h2-16,23-26,29-32H,17-19H2,1H3/t23?,24-,25+,26+,27+,28+/m1/s1
InChIKeyNRFULRAXVJHIJZ-OEZCRYOESA-N
XLogP2.27
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,3R,4S,5R,6R)-6-acetyloxy-4,5-dibenzyl-4,5-dihydroxy-2-(1-hydroxy-2-phenylethyl)oxan-3-yl]methyl acetate
CID 67854114
(1R)-2-phenyl-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]ethanol
CID 134987697
N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-(1-hydroxy-2-phenylethyl)-2-phenylmethoxy-4-prop-2-enyloxan-3-yl]acetamide
CID 57186427
(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
(2R,3S,4S,5S)-3,4-dibenzyl-2-benzylsulfanyl-5-(1-hydroxy-2-phenylethyl)thiolane-3,4-diol
CID 87320010
N-[(2S,3S,4R,5R,6R)-5-benzyl-4,5-dihydroxy-6-(1-hydroxy-2-phenylethyl)-2-phenylmethoxy-4-prop-2-enyloxan-3-yl]acetamide
CID 66878408
1-[(4R)-3,4-dihydroxy-5-methoxy-4-methyloxolan-2-yl]ethyl benzoate
CID 138108810
(3S,7R)-3-methoxy-7,8-bis(phenylmethoxy)-2-oxabicyclo[2.2.2]oct-5-en-4-ol
CID 162402275
(3R,4S,5S)-5-(1-hydroxy-2-phenylethyl)-4-(phenylmethoxymethyl)oxolan-3-ol
CID 57302482
(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 174840135
1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol
CID 67924333

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol (CID 68849451) is (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol is CO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@H](O)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1.
What is the InChIKey of (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol?
The InChIKey is NRFULRAXVJHIJZ-OEZCRYOESA-N. The full InChI is InChI=1S/C28H32O6/c1-33-26-28(32,19-22-15-9-4-10-16-22)27(31,18-21-13-7-3-8-14-21)25(30)24(34-26)23(29)17-20-11-5-2-6-12-20/h2-16,23-26,29-32H,17-19H2,1H3/t23?,24-,25+,26+,27+,28+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol has a molecular weight of 464.56 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-3,4-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 68849451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).