1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol
-
![1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c1d6fd9504614d5b8190de60c57613ae.png "1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol")
1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol
structure -
-
CAS No:
99745-71-8
-
Formula:
C30H31N5O6
-
Chemical Name:
1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol
-
Synonyms:
LIQ 4;LIQ-4;LIQ4;Dmba-dado;DMBA-deoxyadenosine adducts;DTXSID20912510;9-(2-Deoxypentofuranosyl)-N-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydrotetraphen-1-yl)-9H-purin-6-amine;99745-71-8;99751-42-5;Adenosine, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12-dimethylbenz(a)anthracen-1-yl)-
-
CAS No:
1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol Basic Attributes
557.6 g/mol
557.22743373 g/mol
Computed Properties
Molecular Weight:557.6
XLogP3:2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:557.22743373
Monoisotopic Mass:557.22743373
Topological Polar Surface Area:166
Heavy Atom Count:41
Complexity:934
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation