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Reference substances

Reference substances

IUPAC name:
Bis[(2S,3S,4R)-2-aminooctadecane-1,3,4-triol] sulphate

Inventory

CAS number:
29790-50-9
Synonyms
Names:
1,3,4-Octadecanetriol, 2-amino-, [2S-(2R*,3R*,4S*)]-, sulfate (2:1) (salt) (9CI)
Identifier:
CAS number
29790-50-9
Identifier:
IUPAC name
1,3,4-Octadecanetriol, 2-amino-, sulfate (2:1) (salt), D-ribo- (8CI)
Identifier:
other: Molecular formula
C18 H39 N O3 . 1/2 H2 O4 S

Molecular and structural information

Molecular formula:
C36H80N2O10S
Molecular weight:
733.1
SMILES notation:
[NH3+][C@@H]([C@@H](O)[C@@H](O)CCCCCCCCCCCCCC)CO.[NH3+][C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO.O=S([O-])([O-])=O
InChl:
InChI=1S/2C18H39NO3.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20;1-5(2,3)4/h2*16-18,20-22H,2-15,19H2,1H3;(H2,1,2,3,4)/t2*16-,17+,18-;/m10./s1
Structural formula:
Chemical structure

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