Cas no 4754-05-6 (6H-Purine-6-thione,1,9-dihydro-9-(2,3,5-tri-O-acetyl-b-D-xylofuranosyl)-)
4754-05-6 structure
Product Name:6H-Purine-6-thione,1,9-dihydro-9-(2,3,5-tri-O-acetyl-b-D-xylofuranosyl)-
CAS No:4754-05-6
MF:C16H18N4O7S
MW:410.401722431183
CID:333131
PubChem ID:3990558
Update Time:2025-04-19
6H-Purine-6-thione,1,9-dihydro-9-(2,3,5-tri-O-acetyl-b-D-xylofuranosyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purine-6-thione,1,9-dihydro-9-(2,3,5-tri-O-acetyl-b-D-xylofuranosyl)-
- Nsc83295; [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl a cetate;
- 9-(2,3,5-Tri-O-acetylpentofuranosyl)-9H-purine-6-thiol
- NSC98668
- Oprea1_683392
- NSC-98668
- NSC101763
- 4754-05-6
- 7687-42-5
- DTXSID80952598
- NSC-92028
- NSC66385
- inosine, 2',3',5'-triacetate
- NSC92028
- NSC-83295
- NSC-66385
- 3021-21-4
- BI 293
- NSC83295
- NSC-101763
- AKOS003000639
- NS00048925
-
- Inchi： 1S/C16H18N4O7S/c1-7(21)24-4-10-12(25-8(2)22)13(26-9(3)23)16(27-10)20-6-19-11-14(20)17-5-18-15(11)28/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,28)
- InChI Key： MENHRYRSGYYUJA-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC=N1)N(C=N2)C1C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 410.08974
- Monoisotopic Mass: 410.08962010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 28
- Rotatable Bond Count: 8
- Complexity: 703
- 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: 0.6
- Topological Polar Surface Area: 162?2
Experimental Properties
- PSA: 130.34
- LogP: 0.81280
6H-Purine-6-thione,1,9-dihydro-9-(2,3,5-tri-O-acetyl-b-D-xylofuranosyl)- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
4754-05-6 (6H-Purine-6-thione,1,9-dihydro-9-(2,3,5-tri-O-acetyl-b-D-xylofuranosyl)-) Related Products
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