Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside
RN: 136345-76-1
InChIKey: XOPIENHSVNOKRX-RZXBMSGGSA-N

Molecular Formula

  • C40-H58-Cl-N-O29

Molecular Weight

  • 1052.3292
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside

Synonyms

  • 2-Chloro-4-nitrophenyl 4,6-O-3-ketobutylidene beta-maltopentaoside
  • 2-Chloro-4-nitrophenyl O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside
  • 3KB-Cnp-beta-G5
  • 3KB-Cnpg5
  • 3KB-G5CNP

Systematic Name

  • beta-D-Glucopyranoside, 2-chloro-4-nitrophenyl O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 136345-76-1

System Generated Number

  • 0136345761

Structure Descriptors

InChI

1S/C40H58ClNO29/c1-11(47)4-20-60-10-19-35(67-20)25(52)30(57)40(66-19)71-34-18(9-46)65-39(29(56)24(34)51)70-33-17(8-45)64-38(28(55)23(33)50)69-32-16(7-44)63-37(27(54)22(32)49)68-31-15(6-43)62-36(26(53)21(31)48)61-14-3-2-12(42(58)59)5-13(14)41/h2-3,5,15-40,43-46,48-57H,4,6-10H2,1H3/t15-,16-,17-,18-,19-,20?,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m1/s1

InChIKey

XOPIENHSVNOKRX-RZXBMSGGSA-N

Smiles

CC(=O)CC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)Oc7ccc(cc7Cl)[N+](=O)[O-])CO)CO)CO)CO)O)O