Eritoran tetrasodium

CAS Registry Number®

185954-98-7

CAS Name

Eritoran tetrasodium

Molecular Formula

C66H126N2O19P2.4Na

Cite this Page

Eritoran tetrasodium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=185954-98-7 (retrieved 2024-11-22) (CAS RN: 185954-98-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C66H126N2O19P2.4Na/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2;;;;/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78);;;;/b26-25-;;;;/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-;;;;/m1..../s1

InChIKey

InChIKey=QGRQWYPRJPEHDL-RHMAUSBNSA-N

SMILES

O(CC[C@@H](CCCCCCC)OC)[C@@H]1[C@@H](NC(CCCCCCCCC/C=C\CCCCCC)=O)[C@H](OC[C@@H]2[C@@H](O)[C@H](OCCCCCCCCCC)[C@@H](NC(CC(CCCCCCCCCCC)=O)=O)[C@@H](OP(=O)(O)O)O2)O[C@H](COC)[C@H]1OP(=O)(O)O.[Na]

Canonical SMILES

[Na].O=C(NC1C(OC(COC2OC(COC)C(OP(=O)(O)O)C(OCCC(OC)CCCCCCC)C2NC(=O)CCCCCCCCCC=CCCCCCC)C(O)C1OCCCCCCCCCC)OP(=O)(O)O)CC(=O)CCCCCCCCCCC

Other Names for this Substance

  • α-D-Glucopyranose, 3-O-decyl-2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[[(11Z)-1-oxo-11-octadecen-1-yl]amino]-4-O-phosphono-β-D-glucopyranosyl]-2-[(1,3-dioxotetradecyl)amino]-, 1-(dihydrogen phosphate), sodium salt (1:4)
  • α-D-Glucopyranose, 3-O-decyl-2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[[(11Z)-1-oxo-11-octadecenyl]amino]-4-O-phosphono-β-D-glucopyranosyl]-2-[(1,3-dioxotetradecyl)amino]-, 1-(dihydrogen phosphate), tetrasodium salt
  • E 5564
  • Eritoran tetrasodium
  • B 1287