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106094-52-4 | thymidine glycol 5'-triphosphate
CAS No: 106094-52-4 Catalog No: AG009T2Q MDL No:
Product Description
Catalog Number:
AG009T2Q
Chemical Name:
thymidine glycol 5'-triphosphate
CAS Number:
106094-52-4
IUPAC Name:
[[(2R,3S,5S)-5-(5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
InChI:
InChI=1S/C10H19N2O16P3/c1-10(17)7(14)11-9(16)12(8(10)15)6-2-4(13)5(26-6)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4-6,8,13,15,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H,11,14,16)(H2,18,19,20)/t4-,5+,6-,8?,10?/m0/s1
InChI Key:
IJWFNGSBJBRLIA-IKGVZUFCSA-N
Properties
Complexity:
876
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
515.995g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
516.181g/mol
Monoisotopic Mass:
515.995g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
279A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2
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