2 3 4 6-Tetra-O-benzyl-alpha-D-glucopyr&

C₃₆H₃₆Cl₃NO₆CAS 74808-09-6685.04 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₃₆H₃₆Cl₃NO₆
Molar mass: 685.04 g/mol
Exact mass: 683.1608 Da
logP: 8.05Crippen estimate
Polar surface area: 79.2 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 14
Stereocentres: R, R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

74808-09-6

SMILES

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

InChIKey

LMICALCPRSCSMO-BGSSSCFASA-N

InChI

InChI=1S/C36H36Cl3NO6/c37-36(38,39)35(40)46-34-33(44-24-29-19-11-4-12-20-29)32(43-23-28-17-9-3-10-18-28)31(42-22-27-15-7-2-8-16-27)30(45-34)25-41-21-26-13-5-1-6-14-26/h1-20,30-34,40H,21-25H2/t30-,31-,32+,33-,34-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2,3,4,6-Tetra-O-benzyl-alpha-D-glucopyranosyl trichloroacetimidate

Work with 2 3 4 6-Tetra-O-benzyl-alpha-D-glucopyr&

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

1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose58381-23-060 % similar Methyl 2,3,4,6-tetra-O-benzyl-α-D-galactopyranoside53008-63-260 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose4132-28-953 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactopyranose6386-24-953 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranose6564-72-353 % similar 2,3,5-Tri-O-benzyl-beta-D-arabinofuranose60933-68-851 % similar 2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose52522-49-350 % similar Phenylmethyl 2,2,2-trichloroethanimidate81927-55-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook