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92586-35-1

92586-35-1 | 3'-azido-3'-deoxythymidine 5'-(tetrahydrogen triphosphate)

CAS No: 92586-35-1 Catalog No: AG006GMP MDL No:

Product Description

Catalog Number:
AG006GMP
Chemical Name:
3'-azido-3'-deoxythymidine 5'-(tetrahydrogen triphosphate)
CAS Number:
92586-35-1
Molecular Formula:
C10H16N5O13P3
Molecular Weight:
507.1810
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
InChI Key:
GLWHPRRGGYLLRV-XLPZGREQSA-N
SMILES:
[N-]=[N+]=N[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O
UNII:
6RGF96R053

Properties

Complexity:
973  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
506.996g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
507.181g/mol
Monoisotopic Mass:
506.996g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
233A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2  

Literature

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