Cas no 10097-59-3 (Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(hydroxymethyl)-)
10097-59-3 structure
Product Name:Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(hydroxymethyl)-
CAS No:10097-59-3
MF:C10H18N3O14P3
MW:497.182905673981
CID:1130643
Update Time:2024-07-27
Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
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- Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(hydroxymethyl)-
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- Inchi： 1S/C10H18N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
- InChI Key： DLHNIFPAUZVLLA-XLPZGREQSA-N
- SMILES： C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C=C(CO)C(N)=NC2=O)C[C@@H]1O
Computed Properties
- Exact Mass: 497
- Monoisotopic Mass: 497
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 30
- Rotatable Bond Count: 9
- Complexity: 884
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 2.38±0.1 g/cm3(Predicted)
- Boiling Point: 869.6±75.0 °C(Predicted)
- pka: 0.97±0.50(Predicted)
Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(hydroxymethyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
10097-59-3 (Cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(hydroxymethyl)-) Related Products
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