2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone

C₃₄H₃₄O₆CAS 13096-62-3538.64 g/mol

Open in Covalent MOL file

Ester Ether Lactone

Properties

Molecular formula: C₃₄H₃₄O₆
Molar mass: 538.64 g/mol
Exact mass: 538.2355 Da
logP: 5.88Crippen estimate
Polar surface area: 63.2 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 13
Stereocentres: R, R, S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

13096-62-3

SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChIKey

BUBVLQDEIIUIQG-NXVJRICRSA-N

InChI

InChI=1S/C34H34O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-33H,21-25H2/t30-,31-,32+,33-/m1/s1

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Names and synonyms

1 names

(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one

Work with 2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone

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

2,3,5-Tri-O-benzyl-D-ribonolactone55094-52-592 % similar (3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-(((tert-butyldimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-one911380-37-565 % similar 1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-056 % similar 2,3,5-Tri-O-benzyl-beta-D-arabinofuranose60933-68-852 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-951 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-951 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-351 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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