Cas no 10300-24-0 (9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI))
10300-24-0 structure
Product Name:9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI)
CAS No:10300-24-0
MF:C15H18N4O6S
MW:382.391622066498
CID:232813
PubChem ID:4023630
Update Time:2025-04-19
9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI) Chemical and Physical Properties
Names and Identifiers
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- 9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI)
- [4-acetyloxy-3-methoxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
- 9-(2,5-di-O-acetyl-3-O-methylpentofuranosyl)-3,9-dihydro-6H-purine-6-thione
- AC1N2L79
- NSC106543
- O2',O5'-diacetyl-O3'-methyl-6-thio-inosine
- DTXSID90398605
- NSC-106543
- 10300-24-0
-
- Inchi: 1S/C15H18N4O6S/c1-7(20)23-4-9-11(22-3)12(24-8(2)21)15(25-9)19-6-18-10-13(19)16-5-17-14(10)26/h5-6,9,11-12,15H,4H2,1-3H3,(H,16,17,26)
- InChI Key: WXKATFNIWVHVSU-UHFFFAOYSA-N
- SMILES: S=C1C2=C(NC=N1)N(C=N2)C1C(C(C(COC(C)=O)O1)OC)OC(C)=O
Computed Properties
- Exact Mass: 382.09484
- Monoisotopic Mass: 382.09470548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 7
- Complexity: 617
- 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: 0.5
- Topological Polar Surface Area: 145?2
Experimental Properties
- PSA: 113.27
- LogP: 0.89610
9H-Purine-6-thiol,9-(3-O-methyl-b-D-ribofuranosyl)-,2',5'-diacetate (8CI) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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