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126988-91-8

126988-91-8 Structure

126988-91-8 Structure
IdentificationBack Directory
[Name]

1,6,11,16,22,27-Hexaazacyclodotriacontane-2,5,12,15,23,26-hexone, 1,11,22-trihydroxy-
[CAS]

126988-91-8
[Synonyms]

Proferrioxamine-D2 >=95% (LC/MS-ELSD)
1,6,11,16,22,27-Hexaazacyclodotriacontane-2,5,12,15,23,26-hexone, 1,11,22-trihydroxy-
[Molecular Formula]

C26H46N6O9
[MDL Number]

MFCD27967769
[MOL File]

126988-91-8.mol
[Molecular Weight]

586.68
Chemical PropertiesBack Directory
[Melting point ]

179-181 °C
[density ]

1.175±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: 1mg/mL
[form ]

solid
[pka]

9.10±0.20(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

SXTGVXKFOVZYIK-UHFFFAOYSA-N
[SMILES]

O=C(NCCCCCN(C(CC1)=O)O)CCC(N(CCCCCNC(CCC(N(CCCCNC1=O)O)=O)=O)O)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
[Definition]

ChEBI: 1,11,22-Trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone is a keratan 6'-sulfate and an azamacrocycle.
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