Cas no 18520-78-0 ( )
structure
Product Name:
CAS No:18520-78-0
MF:C10H12N4O5
MW:268.226081848145
CID:907250
PubChem ID:135478715
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 9-(3,4,5-trihydroxyoxan-2-yl)-3H-purin-6-one
- NSC107180
- DTXSID10939938
- NSC-107180
- SMR001570669
- MLS002703957
- SCHEMBL6683094
- 9-Pentopyranosyl-9H-purin-6-ol
- 18520-88-2
- NSC-110732
- NSC110732
- 18520-78-0
- CHEMBL1887730
- Hypoxanthine, 9-b-D-xylopyranosyl- (8CI)
-
-
- Inchi： 1S/C10H12N4O5/c15-4-1-19-10(7(17)6(4)16)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)
- InChI Key： UKUBRHKAZHFGHP-UHFFFAOYSA-N
- SMILES： O1CC(C(C(C1N1C=NC2C(NC=NC1=2)=O)O)O)O
Computed Properties
- Exact Mass: 268.08076950g/mol
- Monoisotopic Mass: 268.08076950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 405
- 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: -2.7
- Topological Polar Surface Area: 129?2
Related Literature
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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