Cas no 42867-77-6 ( )
structure
Product Name:
CAS No:42867-77-6
MF:C14H19N5O5
MW:337.331162691116
CID:928526
PubChem ID:270266
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- [4-(6-aminopurin-9-yl)-2-ethoxy-2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
- [2-(6-aminopurin-9-yl)-7-ethoxy-7-methyl-3,6,8-trioxabicyclo[3.3.0]oct-4-yl]methanol
- 2,3'-O-Ethoxyethylideneadenosine
- 2',3'-O-ethoxymethylidene adenosine
- 9-[2,3-o-(1-ethoxyethylidene)pentofuranosyl]-9h-purin-6-amine
- AC1L6O86
- AC1Q5639
- AG-J-53685
- AR-1H5318
- CTK1D7870
- NSC112527
- NSC-112527
- DTXSID90296899
- 42867-77-6
-
-
- Inchi： 1S/C14H19N5O5/c1-3-21-14(2)23-9-7(4-20)22-13(10(9)24-14)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20H,3-4H2,1-2H3,(H2,15,16,17)
- InChI Key： DELSCFHJWHDSFA-UHFFFAOYSA-N
- SMILES： O1C(CO)C2C(C1N1C=NC3C(N)=NC=NC1=3)OC(C)(OCC)O2
Computed Properties
- Exact Mass: 337.13877
- Monoisotopic Mass: 337.13861872g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 473
- 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: -0.9
- Topological Polar Surface Area: 127?2
Experimental Properties
- PSA: 126.77
- LogP: 0.37360
Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
42867-77-6 ( ) Related Products
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