[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)-
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![[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f0a69e3397e549829b8f3c04dbcfb51e.png "[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)-")
[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)-
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CAS No:
126723-16-8
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Formula:
C27H29N3O9
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Chemical Name:
[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)-
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Synonyms:
[1,1′-Biphenyl]-3,3′-dipropanoic acid,α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-,(α3S,α3′S)-;[1,1′-Biphenyl]-3,3′-dipropanoic acid,α,α′-diamino-5-[4-(2-amino-2-carboxyethyl)phenoxy]-6,6′-dihydroxy-,[3(S)-[3(R*),3′(R*),5(R*)]]-;[1,1′-Biphenyl]-3,3′-dipropanoic acid,α,α′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-,(αS,α′S)-;Pulcherosine
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CAS No:
[1,1′-Biphenyl]-3,3′-dipropanoic acid, α3,α3′-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6′-dihydroxy-, (α3S,α3′S)- Basic Attributes
539.53400
539.53
Characteristics
239.65000
3.52120
1.473g/cm3
170-172 °C
778.3ºC at 760 mmHg
424.5ºC
1.682
1.68E-25mmHg at 25°C
Computed Properties
Molecular Weight:539.5
XLogP3:-5.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:12
Exact Mass:539.19037951
Monoisotopic Mass:539.19037951
Topological Polar Surface Area:240
Heavy Atom Count:39
Complexity:837
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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