Cas no 133488-28-5 (1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-bromopyrimidine-2,4(1H,3H)-dione)
133488-28-5 structure
Product Name:1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-bromopyrimidine-2,4(1H,3H)-dione
CAS No:133488-28-5
MF:C10H14BrN3O5
MW:336.139261722565
CID:1238140
PubChem ID:452881
Update Time:2025-04-20
1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-bromopyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-bromopyrimidine-2,4(1H,3H)-dione
- 1-(3-Amino-2,3-dideoxy-.alpha.-D-arabino-hexofuranosyl)-5-bromouracil
- 1-(3-Amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-bromouracil
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-.alpha.- D-arabino-hexofuranosyl)-5-bromo-
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-bromo-
- 1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-yl]-5-bromopyrimidine-2,4-dione
- 133488-28-5
- DTXSID40158135
- 1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2-yl]-5-bromo-pyrimidine-2,4-dione
-
- Inchi： 1S/C10H14BrN3O5/c11-4-2-14(10(18)13-9(4)17)7-1-5(12)8(19-7)6(16)3-15/h2,5-8,15-16H,1,3,12H2,(H,13,17,18)/t5-,6-,7+,8+/m1/s1
- InChI Key： NEWXDJSLWWVNAR-NGJRWZKOSA-N
- SMILES： BrC1C(NC(N(C=1)[C@@H]1C[C@H]([C@@H]([C@@H](CO)O)O1)N)=O)=O
Computed Properties
- Exact Mass: 335.01172
- Monoisotopic Mass: 335.01168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 429
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 125?2
Experimental Properties
- PSA: 125.12
1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-bromopyrimidine-2,4(1H,3H)-dione Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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