Cas no 53458-26-7 (6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1h-purin-2-one)
![6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1h-purin-2-one structure](https://ossimg.kuujia.com/scimg/53500/53458-26-7x500.png)
53458-26-7 structure
Product Name:6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1h-purin-2-one
CAS No:53458-26-7
MF:C12H17N5O4S
MW:327.359480619431
CID:938554
PubChem ID:296238
Update Time:2025-04-19
6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1h-purin-2-one Chemical and Physical Properties
Names and Identifiers
-
- 6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1h-purin-2-one
- 5'-Deoxy-5'-(ethylthio)isoguanosin
- AC1L6PU5
- NSC166159
- S-ethyl-5'-thio-isoguanosine
- NSC-166159
- DTXSID80304533
- 53458-26-7
-
- Inchi： 1S/C12H17N5O4S/c1-2-22-3-5-7(18)8(19)11(21-5)17-4-14-6-9(13)15-12(20)16-10(6)17/h4-5,7-8,11,18-19H,2-3H2,1H3,(H3,13,15,16,20)
- InChI Key： QBOACTZDIJFETM-UHFFFAOYSA-N
- SMILES： S(CC)CC1C(C(C(N2C=NC3=C(N)NC(N=C23)=O)O1)O)O
Computed Properties
- Exact Mass: 327.10031
- Monoisotopic Mass: 327.10012521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 578
- 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: -1.8
- Topological Polar Surface Area: 158?2
Experimental Properties
- PSA: 132.77
- LogP: -0.34470
6-amino-9-[5-(ethylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1h-purin-2-one Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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