CAS 60933-68-8|(2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol|(2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol|2,3,5-TRI-O-BENZYL-β-D-ARABINOFURANOSE|2,3,5-...

General Information

Structure

Molecular Formula

C₂₆H₂₈O₅

Molecular Mass

420.49752

Exact Mass

420.193674

Charge

InChI

InChI=1S/C26H28O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25+,26-/m1/s1

InChIKey

NAQUAXSCBJPECG-FXSWLTOZSA-N

Canonic Smiles

O[C@@H]1O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1

Isomeric Smiles

O(Cc1ccccc1)[C@H]1[C@H](OCc2ccccc2)[C@H](O[C@H]1O)COCc1ccccc1

Calculated Properties

JChem

Acid pKa

11.343033

H Acceptors

H Donor

LogD (pH = 5.5)

4.800594

LogD (pH = 7.4)

4.800545

Log P

4.800595

Molar Refractivity

118.0523

Polarizability

46.89731

Polar Surface Area

57.15

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol

IUPAC name

(2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol

Synonyms

2,3,5-TRI-O-BENZYL-β-D-ARABINOFURANOSE2,3,5-三-苄基-D-阿拉伯呋喃糖苷2,3,5-Tri-O-benzyl-β-D-arabinofuranose2,3,5-Tri-O-benzyl-D-arabinofuranose2,3,5-三-O-苄基-β-D-阿拉伯呋喃糖2,3,5-Tri-O-benzyl-b-D-arabinofuranose

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number

Registration numbers

Properties