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88188-03-8 | 5-BROMO-2-DEOXYCYTIDINE 5-MONOPHOSPHATE SODIUM
CAS No: 88188-03-8 Catalog No: AG004CCZ MDL No:
Product Description
Catalog Number:
AG004CCZ
Chemical Name:
5-BROMO-2-DEOXYCYTIDINE 5-MONOPHOSPHATE SODIUM
CAS Number:
88188-03-8
Molecular Formula:
C9H11BrN3Na2O7P
Molecular Weight:
430.0568
IUPAC Name:
disodium;[(2R,3S,5R)-5-(4-amino-5-bromo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
InChI:
InChI=1S/C9H13BrN3O7P.2Na/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18;;/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChI Key:
MQHZXBQQFGKQFQ-OJSHLMAWSA-L
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(Br)c(nc1=O)N.[Na+].[Na+]
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
428.931g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.058g/mol
Monoisotopic Mass:
428.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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