KM-043

[(2S,3S,4S,5R,6S)-6-[(2S)-2-hexadecanoyloxy-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

Also Known As: KM043|KM-043|KM 043|((2S,3S,4S,5R)-6-(2-hexadecanoyloxy-3-((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl)oxypropoxy)-3,4,5-trihydroxyoxan-2-yl)methanesulfonic acid|((2S,3S,4S,5R,6S)-6-(2-HEXADECANOYLOXY-3-((5E,8E,11E,14E,17E)-ICOSA-5,8,11,14,17-PENTAENOYL)OXYPROPOXY)-3,4,5-TRIHYDROXYOXAN-2-YL)METHANESULFONIC ACID|(2S)-3-(((5E,8E,11E,14E,17E)-1-OXO-5,8,11,14,17-EICOSAPENTAEN-1-YL)OXY)-2-((1-OXOHEXADECYL)OXY)PROPYL 6-DEOXY-6-SULFO-.ALPHA.-D-GLUCOPYRANOSIDE|.ALPHA.-D-GLUCOPYRANOSIDE, (2S)-3-(((5E,8E,11E,14E,17E)-1-OXO-5,8,11,14,17-EICOSAPENTAEN-1-YL)OXY)-2-((1-OXOHEXADECYL)OXY)PROPYL 6-DEOXY-6-SULFO-|.ALPHA.-D-GLUCOPYRANOSIDE, (2S)-3-(((5E,8E,11E,14E,17E)-1-OXO-5,8,11,14,17-EICOSAPENTAENYL)OXY)-2-((1-OXOHEXADECYL)OXY)PROPYL 6-DEOXY-6-SULFO-

Molecular Formula	C45H76O12S
Molecular Weight	840.50574 g/mol
LogP	8.5564
Topological Polar Surface Area	186.12 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	35
Exact Mass	840.50574
Monoisotopic Mass	840.50574
Heavy Atoms	58
Complexity	1308.2225

Chemical Identifiers

CAS Number	207976-87-2
SMILES	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)COC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC