Cas no 57817-59-1 ()
structure
Product Name:
CAS No:57817-59-1
MF:C12H20N5O14P3
MW:551.233585357666
CID:6687551
PubChem ID:136084726
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C12H20N5O14P3/c1-2-27-32(21,22)30-34(25,26)31-33(23,24)28-3-5-7(18)8(19)11(29-5)17-4-14-6-9(17)15-12(13)16-10(6)20/h4-5,7-8,11,18-19H,2-3H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H3,13,15,16,20)/t5-,7-,8-,11-/m1/s1
- InChI Key： QBYKUCPYDXEFEZ-IOSLPCCCSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)OCC)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O
Computed Properties
- Exact Mass: 551.02196132g/mol
- Monoisotopic Mass: 551.02196132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 34
- Rotatable Bond Count: 10
- Complexity: 967
- 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: -4.8
- Topological Polar Surface Area: 284?2
Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside triphosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside triphosphates
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