Cas no 68180-19-8 (6H-Purin-6-one,9-hexadecyl-1,9-dihydro-)
68180-19-8 structure
Product Name:6H-Purin-6-one,9-hexadecyl-1,9-dihydro-
CAS No:68180-19-8
MF:C21H36N4O
MW:360.536745071411
CID:530275
PubChem ID:135468260
Update Time:2025-04-19
6H-Purin-6-one,9-hexadecyl-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,9-hexadecyl-1,9-dihydro-
- 9-hexadecyl-3H-purin-6-one
- 6-Hydroxy-9-n-hexadecylpurin
- 9-hexadecyl-1,9-dihydro-purin-6-one
- AC1L7ZNF
- NSC260863
- DTXSID20312733
- NSC-260863
- 68180-19-8
-
- Inchi： 1S/C21H36N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-18-24-19-20(25)22-17-23-21(19)26/h17-18H,2-16H2,1H3,(H,22,23,26)
- InChI Key： BQXQFIZOKUQPDD-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN1)N(C=N2)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 360.28918
- Monoisotopic Mass: 360.28891178g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 15
- Complexity: 413
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.1
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.28
- LogP: 6.01320
6H-Purin-6-one,9-hexadecyl-1,9-dihydro- Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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