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azanium (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-(2,4,6,8,10,12,14-heptamethyltriacontanoyloxymethyl)-3-hexadecanoyloxy-5-(2,4,6,8,10,12,14,16-octamethyl-17-oxidanyl-dotriacontanoyl)oxy-4-oxidanyl-oxan-2-yl]oxy-6-[(2,4,6,8,10,12,14,16-octamethyl-17-oxidanyl-dotriacontanoyl)oxymethyl]-5-oxidanyl-3-sulfooxy-oxan-4-olate

Systemtic Name:	azanium (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-(2,4,6,8,10,12,14-heptamethyltriacontanoyloxymethyl)-3-hexadecanoyloxy-5-(2,4,6,8,10,12,14,16-octamethyl-17-oxidanyl-dotriacontanoyl)oxy-4-oxidanyl-oxan-2-yl]oxy-6-[(2,4,6,8,10,12,14,16-octamethyl-17-oxidanyl-dotriacontanoyl)oxymethyl]-5-oxidanyl-3-sulfooxy-oxan-4-olate
Openeye Name:	ammonium (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-(2,4,6,8,10,12,14-heptamethyltriacontanoyloxymethyl)-3-hexadecanoyloxy-4-hydroxy-5-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-dotriacontanoyl)oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-[(17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-dotriacontanoyl)oxymethyl]-3-sulfooxy-tetrahydropyran-4-olate
CAS Name:	ammonium (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-6-[(2,4,6,8,10,12,14-heptamethyl-1-oxotriacontoxy)methyl]-4-hydroxy-5-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-1-oxodotriacontoxy)-3-(1-oxohexadecoxy)-2-oxanyl]oxy]-5-hydroxy-6-[(17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-1-oxodotriacontoxy)methyl]-3-sulfooxy-4-oxanolate
IUPAC Name:	azanium (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-(2,4,6,8,10,12,14-heptamethyltriacontanoyloxymethyl)-3-hexadecanoyloxy-4-hydroxy-5-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl)oxyoxan-2-yl]oxy-5-hydroxy-6-[(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl)oxymethyl]-3-sulfooxyoxan-4-olate
Traditional Name:	ammonium (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-(2,4,6,8,10,12,14-heptamethyltriacontanoyloxymethyl)-3-hexadecanoyloxy-4-hydroxy-5-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-dotriacontanoyl)oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-[(17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-dotriacontanoyl)oxymethyl]-3-sulfoxy-tetrahydropyran-4-olate
Formula:	C₁₄₅H₂₈₃NO₂₀S
MolecularWeight:	2392.85822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(CCCCCCCCCCCCCCC)O)O)[O-])OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(CCCCCCCCCCCCCCC)O.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(CCCCCCCCCCCCCCC)O)O)[O-])OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(CCCCCCCCCCCCCCC)O.[NH4+]

InChI

InChI=1S/C145H279O20S.H3N/c1-28-32-36-40-44-48-52-56-60-61-65-69-73-77-81-107(5)85-108(6)86-109(7)87-110(8)92-117(15)98-123(21)103-128(26)142(153)159-106-133-138(163-143(154)129(27)104-124(22)99-119(17)94-114(12)89-112(10)91-116(14)96-121(19)101-126(24)131(147)83-79-75-71-67-63-58-54-50-46-42-38-34-30-3)137(151)139(162-134(148)84-80-76-72-68-64-59-55-51-47-43-39-35-31-4)144(161-133)164-145-140(165-166(155,156)157)136(150)135(149)132(160-145)105-158-141(152)127(25)102-122(20)97-118(16)93-113(11)88-111(9)90-1

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