Cas no 53372-63-7 (2-(6-chloropurin-9-yl)-6-methyloxane-3,4,5-triol)
53372-63-7 structure
Product Name:2-(6-chloropurin-9-yl)-6-methyloxane-3,4,5-triol
CAS No:53372-63-7
MF:C11H13ClN4O4
MW:300.69832110405
CID:938404
PubChem ID:350791
Update Time:2025-04-19
2-(6-chloropurin-9-yl)-6-methyloxane-3,4,5-triol Chemical and Physical Properties
Names and Identifiers
-
- 2-(6-chloropurin-9-yl)-6-methyloxane-3,4,5-triol
- (6R)-6-(6-chloro-purin-9-yl)-2,6-anhydro-1-deoxy-L-mannitol
- (6R)-6-(6-Chlor-purin-9-yl)-2,6-anhydro-1-desoxy-L-mannit
- AC1L6WZK
- NSC515675
- 6-Chloro-9-(6-deoxyhexopyranosyl)-9H-purine
- SCHEMBL6671390
- 53372-63-7
- DTXSID90325678
- NSC-515675
-
- Inchi： 1S/C11H13ClN4O4/c1-4-6(17)7(18)8(19)11(20-4)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-19H,1H3
- InChI Key： GEANMVNPYXPNRY-UHFFFAOYSA-N
- SMILES： ClC1C2=C(N=CN=1)N(C=N2)C1C(C(C(C(C)O1)O)O)O
Computed Properties
- Exact Mass: 300.06269
- Monoisotopic Mass: 300.0625326g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 365
- 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: 0.1
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 113.52
- LogP: -0.52030
2-(6-chloropurin-9-yl)-6-methyloxane-3,4,5-triol Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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