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3′-Azido-3′-deoxythymidine 5′-Triphosphate Triethylammonium Salt , CAS No.92586-35-1 free acid
Basic Description
Synonyms
Zidovudine-5'-triphosphate | 3'-Deoxy-3'-azidothymidine triphosphate | AZTTP | Azt-TP | Benzene, chloro- | HY-116364 | 3'-Azido-dTTP | Zidovudine 5'-triphosphate | 3'-N3-dTTP | 3'-azido-3'-deoxythymidine triphosphate | B-Picoline | 3'-Azido-2',3'-dideoxyt
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleotides
Subclass
Pyrimidine deoxyribonucleotides
Intermediate Tree Nodes
Pyrimidine deoxyribonucleoside triphosphates
Direct Parent
Pyrimidine 2',3'-dideoxyribonucleoside triphosphates
Alternative Parents
Pyrimidones Monoalkyl phosphates Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Azo compounds Azo imides Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine 2',3'-dideoxyribonucleoside triphosphate - Monoalkyl phosphate - Pyrimidone - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Azo compound - Azo imide - Lactam - Urea - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleoside triphosphates. These are pyrimidine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
INCHI
InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey
GLWHPRRGGYLLRV-XLPZGREQSA-N
Smiles
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
Isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
Molecular Weight
507.18
Reaxy-Rn
20643501
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20643501&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
507.180 g/mol
XLogP3
-3.200
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
9
Exact Mass
506.996 Da
Monoisotopic Mass
506.996 Da
Topological Polar Surface Area
233.000 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
973.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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