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THYMIDYLYL(3'->5')THYMIDINE AMMONIUM SALT

CAS No.:
1969-54-6
Catalog Number:
AG00B4HK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00B4HK
Chemical Name:
THYMIDYLYL(3'->5')THYMIDINE AMMONIUM SALT
CAS Number:
1969-54-6
MDL Number:
MFCD00058222
IUPAC Name:
azane;[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
InChI:
InChI=1S/C20H27N4O12P.H3N/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(35-15)8-33-37(31,32)36-12-4-16(34-13(12)7-25)24-6-10(2)18(28)22-20(24)30;/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30);1H3/t11-,12-,13+,14?,15+,16+;/m0./s1
InChI Key:
TUUIEHHWVRHMDA-HOXVELFZSA-N
Properties
Complexity:
1100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
563.163g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
563.457g/mol
Monoisotopic Mass:
563.163g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
215A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Complete stereospecific repair of a synthetic dinucleotide spore photoproduct by spore photoproduct lyase. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20100801
Predicting thymine dimerization yields from molecular dynamics simulations. Biophysical journal 20080501
Oligonucleotide treatment increases eumelanogenesis, hair pigmentation and melanocortin-1 receptor expression in the hair follicle. Experimental dermatology 20070801
Synthesis of oligonucleotides containing the Dewar valence isomer of the (6-4) photoproduct and their application to (6-4) photolyase studies. Nucleic acids symposium series (2004) 20060101
Optical detection of thymine dinucleoside monophosphate and its cis-syn photodimer by inorganic nanoparticles. Journal of fluorescence 20040701
Selective recognition of thymidylylthymidine (TpT) and antitumor effects of a macrocyclic dizinc(II) complex. Organic & biomolecular chemistry 20031207
Sugar conformational effects on the photochemistry of thymidylyl(3'-5')thymidine. The Journal of organic chemistry 20030822
Highly efficient recognition of native TpT by artificial ditopic hydrogen-bonding receptors possessing a conformationally well-defined linkage. The Journal of organic chemistry 20030207
Properties