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31747-59-8 | Cytidine5'-(tetrahydrogen triphosphate), 2'-deoxy-5-iodo-
CAS No: 31747-59-8 Catalog No: AG007IO9 MDL No:
Product Description
Catalog Number:
AG007IO9
Chemical Name:
Cytidine5'-(tetrahydrogen triphosphate), 2'-deoxy-5-iodo-
CAS Number:
31747-59-8
Molecular Formula:
C9H13IN3Na2O11P3
Molecular Weight:
605.0183
IUPAC Name:
[[(2R,3S,5R)-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
InChI:
InChI=1S/C9H15IN3O13P3/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,14H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
InChI Key:
OOMLBPVHGFQCCL-RRKCRQDMSA-N
SMILES:
O=P(OP(=O)(OP(=O)[O-])[O-])OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(nc1=O)N.[Na+].[Na+]
Properties
Complexity:
873
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
592.886g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
593.053g/mol
Monoisotopic Mass:
592.886g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
248A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8
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