Methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-α-D-glucopyranoside

CAS Registry Number®

114903-05-8
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CAS Name

Methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-α-D-glucopyranoside

Molecular Formula

C81H91N7O27

Cite this Page

Methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-α-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114903-05-8 (retrieved 2024-06-25) (CAS RN: 114903-05-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C81H91N7O27/c1-99-76-58(84-81(98)106-46-53-35-21-8-22-36-53)65(101-41-48-25-11-3-12-26-48)64(56(39-91)107-76)111-79-61(93)67(103-43-50-29-15-5-16-30-50)69(71(114-79)74(94)95)112-77-57(85-87-82)60(92)62(54(37-89)108-77)110-80-73(105-45-52-33-19-7-20-34-52)68(104-44-51-31-17-6-18-32-51)70(72(115-80)75(96)97)113-78-59(86-88-83)66(102-42-49-27-13-4-14-28-49)63(55(38-90)109-78)100-40-47-23-9-2-10-24-47/h2-36,54-73,76-80,89-93H,37-46H2,1H3,(H,84,98)(H,94,95)(H,96,97)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71-,72+,73-,76+,77-,78-,79-,80-/m1/s1

InChIKey

InChIKey=YJFUPTPXBAYHGB-JFHRUGPCSA-N

SMILES

O([C@H]1[C@H](OCC2=CC=CC=C2)[C@@H](OCC3=CC=CC=C3)[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@H]5[C@H](OCC6=CC=CC=C6)[C@@H](O)[C@H](O[C@H]7[C@H](OCC8=CC=CC=C8)[C@@H](NC(OCC9=CC=CC=C9)=O)[C@@H](OC)O[C@@H]7CO)O[C@H]5C(O)=O)[C@H](N=[N+]=[N-])[C@H]4O)O[C@@H]1C(O)=O)[C@@H]%10[C@H](N=[N+]=[N-])[C@@H](OCC%11=CC=CC=C%11)[C@H](OCC%12=CC=CC=C%12)[C@@H](CO)O%10

Canonical SMILES

[N-]=[N+]=NC1C(OC(CO)C(OC2OC(C(=O)O)C(OC3OC(CO)C(OCC=4C=CC=CC4)C(OCC=5C=CC=CC5)C3N=[N+]=[N-])C(OCC=6C=CC=CC6)C2OCC=7C=CC=CC7)C1O)OC8C(OC(OC9C(OC(OC)C(NC(=O)OCC=%10C=CC=CC%10)C9OCC=%11C=CC=CC%11)CO)C(O)C8OCC=%12C=CC=CC%12)C(=O)O

Other Names for this Substance

  • α-D-Glucopyranoside, methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-
  • Methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-α-D-glucopyranoside

Deleted or Replaced CAS Registry Numbers

1648585-96-9

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