2,3,5-Tri-O-benzyl-D-ribonolactone

C₂₆H₂₆O₅CAS 55094-52-5418.49 g/mol

Open in Covalent MOL file

Ester Ether Lactone

Properties

Molecular formula: C₂₆H₂₆O₅
Molar mass: 418.49 g/mol
Exact mass: 418.1780 Da
logP: 4.30Crippen estimate
Polar surface area: 54.0 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 10
Stereocentres: R, R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

55094-52-5

SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChIKey

LDHBSABBBAUMCZ-UBFVSLLYSA-N

InChI

InChI=1S/C26H26O5/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/h1-15,23-25H,16-19H2/t23-,24-,25-/m1/s1

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Names and synonyms

1 names

(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one

Work with 2,3,5-Tri-O-benzyl-D-ribonolactone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone13096-62-392 % similar (3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-(((tert-butyldimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-one911380-37-560 % similar 1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-054 % similar 2,3,5-Tri-O-benzyl-beta-D-arabinofuranose60933-68-850 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-949 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-949 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-349 % similar 3,4,6-Tri-O-benzyl-D-glucal55628-54-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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