CAS 114869-99-7

α-<span class="text-smallcaps">D</smallcap>-Glucopyranoside, methyl O-6-methyl-2,3-bis-O-(phenylmethyl)-β-<smallcap>D</smallcap>-glucopyranuronosyl-(1→4)-O-3,6-di-O-acetyl-2-azido-2-deoxy-α-<smallcap>D</smallcap>-glucopyranosyl-(1→4)-O-2-O-acetyl-6-methyl-3-O-(phenylmethyl)-α-<smallcap>L</span>-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate

Description:

The chemical substance known as α-D-Glucopyranoside, methyl O-6-methyl-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-3,6-di-O-acetyl-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-2-O-acetyl-6-methyl-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate, with CAS number 114869-99-7, is a complex glycoside derivative characterized by multiple functional groups and stereocenters. This compound features a glucopyranoside backbone, indicating it is a sugar derivative, and includes various acetyl and azido substituents, which suggest potential reactivity and applications in organic synthesis or medicinal chemistry. The presence of phenylmethyl groups indicates that it may exhibit hydrophobic properties, which could influence its solubility and interaction with biological systems. The intricate structure implies that it may be of interest in the study of carbohydrate chemistry, particularly in the context of glycosylation reactions or as a potential bioactive compound. Its complexity also suggests that it may require specialized techniques for synthesis and characterization.

Formula: C₇₁H₈₂N₄O₂₇

InChI: InChI=1S/C71H82N4O27/c1-40(76)87-38-49-54(56(89-33-44-23-13-8-14-24-44)51(67(86-7)96-49)73-71(83)93-37-48-31-21-12-22-32-48)98-70-64(95-43(4)79)60(91-35-46-27-17-10-18-28-46)61(62(102-70)66(82)85-6)101-68-52(74-75-72)57(94-42(3)78)55(50(97-68)39-88-41(2)77)99-69-63(92-36-47-29-19-11-20-30-47)58(53(80)59(100-69)65(81)84-5)90-34-45-25-15-9-16-26-45/h8-32,49-64,67-70,80H,33-39H2,1-7H3,(H,73,83)/t49-,50-,51-,52-,53+,54-,55-,56-,57-,58+,59+,60+,61+,62-,63-,64-,67+,68-,69-,70-/m1/s1

InChI key: InChIKey=KSSGPJXKZSZZRN-MARHOQQTSA-N

SMILES: O([C@H]1[C@H](OCC2=CC=CC=C2)[C@@H](OC(C)=O)[C@H](O[C@H]3[C@H](OCC4=CC=CC=C4)[C@@H](NC(OCC5=CC=CC=C5)=O)[C@@H](OC)O[C@@H]3COC(C)=O)O[C@H]1C(OC)=O)[C@@H]6[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H](O[C@H]7[C@H](OCC8=CC=CC=C8)[C@@H](OCC9=CC=CC=C9)[C@H](O)[C@@H](C(OC)=O)O7)[C@@H](COC(C)=O)O6