Cas no 27894-33-3 (9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)- (8CI))
27894-33-3 structure
Product Name:9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)- (8CI)
CAS No:27894-33-3
MF:C11H14N4O4S
MW:298.318260669708
CID:288107
PubChem ID:4043555
Update Time:2025-04-19
9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)- (8CI)
- 9-(3,4,5-trihydroxy-6-methyloxan-2-yl)-3H-purine-6-thione
- NSC126578
- 27894-33-3
- NSC-126578
- DTXSID30398720
-
- Inchi： 1S/C11H14N4O4S/c1-4-6(16)7(17)8(18)11(19-4)15-3-14-5-9(15)12-2-13-10(5)20/h2-4,6-8,11,16-18H,1H3,(H,12,13,20)
- InChI Key： CKCKTPGYVRTPPD-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC=N1)N(C=N2)C1C(C(C(C(C)O1)O)O)O
Computed Properties
- Exact Mass: 298.07372
- Monoisotopic Mass: 298.07357611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 437
- 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: -0.7
- Topological Polar Surface Area: 144?2
Experimental Properties
- PSA: 112.13
- LogP: -0.51110
9H-Purine-6-thiol,9-(6-deoxy-b-L-galactopyranosyl)- (8CI) Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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