(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylic acid
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![(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9b04917a7a6847bf987b95bc4a987502.png "(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylic acid")
(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylic acid
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CAS No:
33886-20-3
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Formula:
C10H10N2O7
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Chemical Name:
(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylic acid
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Synonyms:
2,2'-anhydro-1-(beta-arabinofuranosyl)-orotic acid;ara-orotic acid;33886-20-3;Ara-orotic acid;DTXSID50955470;2,2'-Anhydro-1-(beta-arabinofuranosyl)-orotic acid;2,2'-Anhydro-1-(beta-arabinofuranosyl)orotic acid;3-Hydroxy-2-(hydroxymethyl)-6-oxo-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidine-8-carboxylic acid;6H-Furo(2',3'-4,5)oxazolo(3,2-a)pyrimidine-8-carboxylic acid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, (2R-(2alpha,3beta,3abeta,9abeta))-
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CAS No:
(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylic acid Basic Attributes
270.20 g/mol
270.04880066 g/mol
Computed Properties
Molecular Weight:270.20
XLogP3:-2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:270.04880066
Monoisotopic Mass:270.04880066
Topological Polar Surface Area:129
Heavy Atom Count:19
Complexity:514
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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