Cas no 16541-23-4 (Xanthosine5'-(tetrahydrogen triphosphate), 2'-deoxy- (9CI))
16541-23-4 structure
Product Name:Xanthosine5'-(tetrahydrogen triphosphate), 2'-deoxy- (9CI)
CAS No:16541-23-4
MF:C10H15N4O14P3
MW:508.165785074234
CID:155591
PubChem ID:439490
Update Time:2025-04-19
Xanthosine5'-(tetrahydrogen triphosphate), 2'-deoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Xanthosine5'-(tetrahydrogen triphosphate), 2'-deoxy- (9CI)
- 2'-Deoxyxanthosine5'-triphosphate
- dXTP
- Xanthosine,2'-deoxy-, 5'-(tetrahydrogen triphosphate) (8CI)
- [[(2R,3S,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
- C01348
- CHEBI:10535
- AC1L97G5
- [[(2R,3S,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- ((2R,3S,5R)-5-(2,6-Dioxo-2,3-dihydro-1H-purin-9(6H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
- Q27108652
- SCHEMBL1069101
- 16541-23-4
- deoxy-xanthosine triphosphate
-
- Inchi： 1S/C10H15N4O14P3/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1
- InChI Key： WRTKMPONLHLBBL-KVQBGUIXSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H](C[C@H](N2C=NC3C(NC(NC2=3)=O)=O)O1)O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 507.97976216g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 880
- 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
- XLogP3: -4.8
- Topological Polar Surface Area: 265?2
Experimental Properties
- PSA: 52.54
Xanthosine5'-(tetrahydrogen triphosphate), 2'-deoxy- (9CI) Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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