Cas no 900513-69-1 (1ALPHA-DEOXY-1ALPHA-AZIDO-4ALPHA-DEOXY-4ALPHA-(THYMIN-1-YL)-2,3ALPHA:2ALPHA,5ALPHA-DIANHYDRO-L-ALTRITOL)
900513-69-1 structure
Product Name:1ALPHA-DEOXY-1ALPHA-AZIDO-4ALPHA-DEOXY-4ALPHA-(THYMIN-1-YL)-2,3ALPHA:2ALPHA,5ALPHA-DIANHYDRO-L-ALTRITOL
CAS No:900513-69-1
MF:C11H13N5O4
MW:279.252021551132
CID:1948294
PubChem ID:90477977
Update Time:2025-04-21
1ALPHA-DEOXY-1ALPHA-AZIDO-4ALPHA-DEOXY-4ALPHA-(THYMIN-1-YL)-2,3ALPHA:2ALPHA,5ALPHA-DIANHYDRO-L-ALTRITOL Chemical and Physical Properties
Names and Identifiers
-
- 1ALPHA-DEOXY-1ALPHA-AZIDO-4ALPHA-DEOXY-4ALPHA-(THYMIN-1-YL)-2,3ALPHA:2ALPHA,5ALPHA-DIANHYDRO-L-ALTRITOL
- 900513-69-1
-
- Inchi： 1S/C11H13N5O4/c1-5-3-16-8-7(4-17)19-6(2-13-15-12)9(8)20-11(16)14-10(5)18/h3,6-9,17H,2,4H2,1H3/t6-,7-,8-,9+/m0/s1
- InChI Key： QGJUYFLKZVELIB-XSPKLOCKSA-N
- SMILES： O1[C@@H](CN=[N+]=[N-])[C@@H]2[C@H]([C@@H]1CO)N1C=C(C)C(N=C1O2)=O
Computed Properties
- Exact Mass: 279.09675391Da
- Monoisotopic Mass: 279.09675391Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 553
- 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: 0.1
- Topological Polar Surface Area: 85.7?2
1ALPHA-DEOXY-1ALPHA-AZIDO-4ALPHA-DEOXY-4ALPHA-(THYMIN-1-YL)-2,3ALPHA:2ALPHA,5ALPHA-DIANHYDRO-L-ALTRITOL Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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