Cas no 30546-00-0 (Benzamide,N-[7-(2-S-methyl-2-thio-a-D-ribofuranosyl)purin-6-yl]-, dibenzoate (ester) (8CI))
![Benzamide,N-[7-(2-S-methyl-2-thio-a-D-ribofuranosyl)purin-6-yl]-, dibenzoate (ester) (8CI) structure](https://ossimg.kuujia.com/scimg/31000/30546-00-0x500.png)
30546-00-0 structure
Product Name:Benzamide,N-[7-(2-S-methyl-2-thio-a-D-ribofuranosyl)purin-6-yl]-, dibenzoate (ester) (8CI)
CAS No:30546-00-0
MF:C32H27N5O6S
MW:609.65168595314
CID:321586
PubChem ID:283465
Update Time:2025-04-19
Benzamide,N-[7-(2-S-methyl-2-thio-a-D-ribofuranosyl)purin-6-yl]-, dibenzoate (ester) (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-[7-(2-S-methyl-2-thio-a-D-ribofuranosyl)purin-6-yl]-, dibenzoate (ester) (8CI)
- 2-(2-aminophenyl)acetonitrile
- NSC374909
- O3',O5'-anilinothiophosphoryl-thymidine
- O3',O5'-bis-(4-chloro-benzoyl)-5-ethyl-2'-deoxy-uridine
- O3,O5-dibenzoyl-1-(6-benzoylamino-purin-7-yl)-S-methyl-D-2-thio-1-deoxy-ribofuranose
- 30546-00-0
- DTXSID30952846
- NSC-138289
- 7-(3,5-Di-O-benzoyl-2-S-methyl-2-thiopentofuranosyl)-6-{[hydroxy(phenyl)methylidene]amino}-7H-purine
- NSC138289
-
- Inchi： 1S/C32H27N5O6S/c1-44-26-25(43-32(40)22-15-9-4-10-16-22)23(17-41-31(39)21-13-7-3-8-14-21)42-30(26)37-19-35-27-24(37)28(34-18-33-27)36-29(38)20-11-5-2-6-12-20/h2-16,18-19,23,25-26,30H,17H2,1H3,(H,33,34,36,38)
- InChI Key： BMPUMGWYBHVEIQ-UHFFFAOYSA-N
- SMILES： S(C)C1C(N2C=NC3C2=C(N=CN=3)NC(C2C=CC=CC=2)=O)OC(COC(C2C=CC=CC=2)=O)C1OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 132.06884
- Monoisotopic Mass: 609.16820477g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 44
- Rotatable Bond Count: 11
- Complexity: 988
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 160?2
Experimental Properties
- PSA: 49.81
- LogP: 4.86320
Benzamide,N-[7-(2-S-methyl-2-thio-a-D-ribofuranosyl)purin-6-yl]-, dibenzoate (ester) (8CI) Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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