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115899-39-3 | Cytidine 5'-(tetrahydrogen triphosphate), 5-(3-amino-1-propyn-1-yl)-2'-deoxy-
CAS No: 115899-39-3 Catalog No: AG000H25 MDL No:
Product Description
Catalog Number:
AG000H25
Chemical Name:
Cytidine 5'-(tetrahydrogen triphosphate), 5-(3-amino-1-propyn-1-yl)-2'-deoxy-
CAS Number:
115899-39-3
IUPAC Name:
[[(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
InChI:
InChI=1S/C12H19N4O13P3/c13-3-1-2-7-5-16(12(18)15-11(7)14)10-4-8(17)9(27-10)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h5,8-10,17H,3-4,6,13H2,(H,22,23)(H,24,25)(H2,14,15,18)(H2,19,20,21)/t8-,9+,10+/m0/s1
InChI Key:
LVTQIVFSMGDIPF-IVZWLZJFSA-N
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
520.016g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
520.22g/mol
Monoisotopic Mass:
520.016g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
274A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.5
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