CAS 384832-91-1 | 9Z-octadecenoicacid,1,1'-[(1R)-1-[8-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphaoct-1-yl]-1,2-ethanediyl]ester,diammoniumsalt | CAS Number 384832-91-1

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384832-91-1 | 9Z-octadecenoicacid,1,1'-[(1R)-1-[8-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphaoct-1-yl]-1,2-ethanediyl]ester,diammoniumsalt

CAS No: 384832-91-1 Catalog No: AG01EQBC MDL No:

Product Description

Catalog Number:

AG01EQBC

Chemical Name:

9Z-octadecenoicacid,1,1'-[(1R)-1-[8-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphaoct-1-yl]-1,2-ethanediyl]ester,diammoniumsalt

CAS Number:

384832-91-1

Molecular Formula:

C62H94N3O14P

Molecular Weight:

1136.3952

IUPAC Name:

azane;[(2R)-3-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

InChI:

InChI=1S/C62H88NO14P.2H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-58(66)72-46-51(75-59(67)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-74-78(70,71)73-42-41-63-60(68)48-35-38-53-52(43-48)61(69)77-62(53)54-39-36-49(64)44-56(54)76-57-45-50(65)37-40-55(57)62;;/h17-20,35-40,43-45,51,64-65H,3-16,21-34,41-42,46-47H2,1-2H3,(H,63,68)(H,70,71);2*1H3/b19-17-,20-18-;;/t51-;;/m1../s1

InChI Key:

SYTVVMALVQLZIE-NFESXEJCSA-N

SMILES:

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCCNC(=O)c1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O)O.N.N