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Substance Name: DT 5461
RN: 123598-19-6
InChIKey: UJHMVJBHIMKLDF-BBAFUJFLSA-N

Note

  • DT-5461a is the monomeglumine salt.

Molecular Formula

  • C73-H133-N4-O22-P

Molecular Weight

  • 1449.83
 
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Names and Synonyms

Name of Substance

  • DT 5461

Synonyms

  • 1,3-Dicarboxyisopropyl-2-deoxy-6-O-(2-deoxy-3-O(N-dodecanoylglycyl)-4-O-phosphono-2-tetradecanoylamino-beta-D-glucopyranosyl)-3-O-(N-dodecanoylglycyl)-2-tetradecanoylamino-alpha-D-glucopyranoside
  • DT-5461
  • DT-5461a

Systematic Name

  • Pentanedioic acid, 3-((2-deoxy-6-O-(2-deoxy-3-O-(((1-oxododecyl)amino)acetyl)-2-((1-oxotetradecyl)amino)-4-O-phosphono-beta-D-glucopyranosyl)-3-O-(((1-oxododecyl)amino)acetyl)-2-((1-oxotetradecyl)amino)-alpha-D-glucopyranosyl)oxy)-

Registry Numbers

CAS Registry Number

  • 123598-19-6

System Generated Number

  • 0123598196

Structure Descriptors

InChI

1S/C73H133N4O22P/c1-5-9-13-17-21-25-27-31-35-39-43-47-60(81)76-66-70(97-64(87)51-74-58(79)45-41-37-33-29-23-19-15-11-7-3)68(89)57(96-73(66)94-55(49-62(83)84)50-63(85)86)54-93-72-67(77-61(82)48-44-40-36-32-28-26-22-18-14-10-6-2)71(69(56(53-78)95-72)99-100(90,91)92)98-65(88)52-75-59(80)46-42-38-34-30-24-20-16-12-8-4/h55-57,66-73,78,89H,5-54H2,1-4H3,(H,74,79)(H,75,80)(H,76,81)(H,77,82)(H,83,84)(H,85,86)(H2,90,91,92)/t56-,57-,66-,67-,68-,69-,70-,71-,72-,73+/m1/s1

InChIKey

UJHMVJBHIMKLDF-BBAFUJFLSA-N

Smiles

O1[C@H](CO)[C@H]([C@@H]([C@H](NC(CCCCCCCCCCCCC)=O)[C@@H]1OC[C@H]1O[C@H](OC(CC(O)=O)CC(=O)O)[C@H](NC(CCCCCCCCCCCCC)=O)[C@H](OC(CNC(CCCCCCCCCCC)=O)=O)[C@@H]1O)OC(CNC(=O)CCCCCCCCCCC)=O)OP(=O)(O)O