6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid
-
![6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/29a5feb8369c4d6f87f4a3e8ecc4ecf0.png "6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid")
6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid
structure -
-
CAS No:
107838-94-8
-
Formula:
C19H24N4O7
-
Chemical Name:
6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid
-
Synonyms:
7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline;CPD-TH;107838-94-8;Cpd-TH;DTXSID80910552;7-(6-O-(5-Carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline;6-((5,6-Dihydro-5-oxo-6-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-9-yl)-2H-pyran-2-yl)methoxy)hexanoic acid (2S-cis)-;6-{[6-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-5-oxo-5,6-dihydro-2H-pyran-2-yl]methoxy}hexanoic acid;Hexanoic acid, 6-((5,6-dihydro-5-oxo-6-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-9-yl)-2H-pyran-2-yl)methoxy)-, (2S-cis)-
-
CAS No:
6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid Basic Attributes
420.4 g/mol
420.16449912 g/mol
Computed Properties
Molecular Weight:420.4
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:420.16449912
Monoisotopic Mass:420.16449912
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:728
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8
Request for Quotation