5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
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![5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8366fb725c864aab8e374468bd69a5b4.png "5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid")
5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
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CAS No:
123970-01-4
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Formula:
C16H19N5O9
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Chemical Name:
5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
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Synonyms:
Aureonuclemycin;123970-01-4;DTXSID40924650;9-(6,10-Anhydro-5-deoxyundec-7-ulopyranosefuranuronosyl)-9H-purin-6-amine;7-Undeculo-7,3-pyranoside-1,4-furanuronic acid, 1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-
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CAS No:
5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid Basic Attributes
425.35 g/mol
425.11827720 g/mol
Computed Properties
Molecular Weight:425.35
XLogP3:-3.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:2
Exact Mass:425.11827720
Monoisotopic Mass:425.11827720
Topological Polar Surface Area:216
Heavy Atom Count:30
Complexity:704
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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