7-[[2-(AcetylaMino)-3,4-di-O-benzoyl-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one
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![7-[[2-(AcetylaMino)-3,4-di-O-benzoyl-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5b4c62f498904985af47eb4c791abb53.png "7-[[2-(AcetylaMino)-3,4-di-O-benzoyl-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one")
7-[[2-(AcetylaMino)-3,4-di-O-benzoyl-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one
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CAS No:
154639-33-5
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Formula:
C32H29NO13S
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Chemical Name:
7-[[2-(AcetylaMino)-3,4-di-O-benzoyl-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one
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Synonyms:
4-MethyluMbelliferyl 2-AcetaMido-2-deoxy-3,4-di-O-benzoyl-β-D-Galactopyranoside 6-Sulfate;7-[[2-(AcetylaMino)-3,4-di-O-benzoyl-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one
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CAS No:
7-[[2-(AcetylaMino)-3,4-di-O-benzoyl-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one Basic Attributes
667.63656
667.136
DTXSID30858112
Computed Properties
Molecular Weight:667.6
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:667.13596115
Monoisotopic Mass:667.13596115
Topological Polar Surface Area:198
Heavy Atom Count:47
Complexity:1280
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
7-[[2-(AcetylaMino)-3,4-di-O-benzoyl-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]oxy]-4-Methyl-2H-1-benzopyran-2-one
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