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Substance Name: Lipid A-prephoson
RN: 131061-35-3
InChIKey: RXMIYVKPBNCKJG-UHFFFAOYSA-N

Note

  • A phosphonate analog of a lipid A precursor.

Molecular Formula

  • C68-H129-N2-O19-P

Molecular Weight

  • 1309.7361
 
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Names and Synonyms

Results Name

  • Lipid A-prephoson

Name of Substance

  • 6-O-(2-Deoxy-3-O-(3-hydroxytetradecanoyl)-2-((3-hydroxytetradecanoyl)amino)-glycopyranosyl)-2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-((3-hydroxytetradecanoyl)amino)-glucopyranosylphosphonate

Synonym

  • Lipid A-prephoson

Systematic Name

  • Tetradecanoic acid, 3-hydroxy-, 3',3''-diester with (2-deoxy-6-O-(2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-beta-D-glucopyranosyl)-2-((3-hydroxy-1-oxotetradecyl)amino)-alpha-D-glucopyranosyl)phosphonic acid, (2(R),3(R),6(2R),3(R))-

Registry Numbers

CAS Registry Number

  • 131061-35-3

System Generated Number

  • 0131061353

Structure Descriptors

InChI

1S/C68H129N2O19P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)

InChIKey

RXMIYVKPBNCKJG-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)P(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O