N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]octadecanamide
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![N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]octadecanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/736adba25faf4ec9821f422e79e827d8.png "N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]octadecanamide")
N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]octadecanamide
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CAS No:
244215-65-4
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Formula:
C42H81NO11S
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Chemical Name:
N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]octadecanamide
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Synonyms:
Octadecanamide,N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-;Octadecanamide,N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-;N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]octadecanamide
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CAS No:
Description
1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine is a N-acyl-beta-D-galactosylsphingosine having a sulfo group at the 3-position on the galactose ring and stearoyl as the N-acyl group. It has a role as an epitope. It is a N-acyl-beta-D-galactosylsphingosine and a galactosylceramide sulfate. It is a conjugate acid of a 1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine(1-).
N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]octadecanamide Basic Attributes
808.2 g/mol
808.16
Computed Properties
Molecular Weight:808.2
XLogP3:12
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:37
Exact Mass:807.55303357
Monoisotopic Mass:807.55303357
Topological Polar Surface Area:201
Heavy Atom Count:55
Complexity:1040
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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