Cas no 27894-32-2 (9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)-,2',3',4'-triacetate (8CI))
27894-32-2 structure
Product Name:9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)-,2',3',4'-triacetate (8CI)
CAS No:27894-32-2
MF:C17H20N4O7S
MW:424.428302764893
CID:289367
PubChem ID:4617796
Update Time:2025-04-19
9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)-,2',3',4'-triacetate (8CI) Chemical and Physical Properties
Names and Identifiers
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- 9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)-,2',3',4'-triacetate (8CI)
- [4,5-diacetyloxy-2-methyl-6-(6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] acetate
- NSC125629
- 27894-32-2
- DTXSID10404954
- NSC-125629
-
- Inchi： 1S/C17H20N4O7S/c1-7-12(26-8(2)22)13(27-9(3)23)14(28-10(4)24)17(25-7)21-6-20-11-15(21)18-5-19-16(11)29/h5-7,12-14,17H,1-4H3,(H,18,19,29)
- InChI Key： FYFYDSSZDPSGCR-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC=N1)N(C=N2)C1C(C(C(C(C)O1)OC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 424.1054
- Monoisotopic Mass: 424.10527016g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 29
- Rotatable Bond Count: 7
- Complexity: 733
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 162?2
Experimental Properties
- PSA: 130.34
- LogP: 1.20130
9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)-,2',3',4'-triacetate (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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
27894-32-2 (9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)-,2',3',4'-triacetate (8CI)) Related Products
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