4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
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![4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2a685500a719498aac40ec11eceb56d8.png "4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide")
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
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CAS No:
49863-03-8
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Formula:
C21H42N6O11
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Chemical Name:
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
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Synonyms:
49863-03-8;Aminodeoxybutyrosin A;5''-Aminodeoxybutirosin A;D-Streptamine, O-5-amino-5-deoxy-beta-D-xylofuranosyl-(1-5)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-;SCHEMBL19619260;DTXSID60964452;4-Amino-N-{5-amino-3-[(5-amino-5-deoxypentofuranosyl)oxy]-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanimidic acid
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CAS No:
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide Basic Attributes
554.6 g/mol
554.29115618 g/mol
Computed Properties
Molecular Weight:554.6
XLogP3:-7.5
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:554.29115618
Monoisotopic Mass:554.29115618
Topological Polar Surface Area:318
Heavy Atom Count:38
Complexity:773
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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