(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol

C26H28O5 — CID 141224072

IUPAC(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
SMILESOC1O[C@H](COCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C26H28O5/c27-24-26(29,17-21-12-6-2-7-13-21)25(28,16-20-10-4-1-5-11-20)23(31-24)19-30-18-22-14-8-3-9-15-22/h1-15,23-24,27-29H,16-19H2/t23-,24?,25+,26+/m1/s1
InChIKeyPORTZUWVRWIUMK-WLXDULSJSA-N
MW420.51 g/mol
LogP2.87
Rot. Bonds8

About (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol

(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol (PubChem CID 141224072) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
PubChem CID141224072
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Name(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
SMILESOC1O[C@H](COCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1
InChIInChI=1S/C26H28O5/c27-24-26(29,17-21-12-6-2-7-13-21)25(28,16-20-10-4-1-5-11-20)23(31-24)19-30-18-22-14-8-3-9-15-22/h1-15,23-24,27-29H,16-19H2/t23-,24?,25+,26+/m1/s1
InChIKeyPORTZUWVRWIUMK-WLXDULSJSA-N
XLogP2.87
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5R)-3,4-dibenzyl-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 141184426
(3R,4S,5R,6R)-3,4-dibenzyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,3,4-triol
CID 18664957
(3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride
CID 174679764
(2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 98170546
(2S,3S,4R,5R)-2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 140674095
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol (CID 141224072) is (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol is OC1O[C@H](COCc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1.
What is the InChIKey of (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol?
The InChIKey is PORTZUWVRWIUMK-WLXDULSJSA-N. The full InChI is InChI=1S/C26H28O5/c27-24-26(29,17-21-12-6-2-7-13-21)25(28,16-20-10-4-1-5-11-20)23(31-24)19-30-18-22-14-8-3-9-15-22/h1-15,23-24,27-29H,16-19H2/t23-,24?,25+,26+/m1/s1.
What are the key properties of (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol?
(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol has a molecular weight of 420.51 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 141224072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).