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148892-91-5 | 5'-Guanylic acid, monoanhydride with imidodiphosphoric acid, trisodium salt (9CI)
CAS No: 148892-91-5 Catalog No: AG001L9C MDL No:
Product Description
Catalog Number:
AG001L9C
Chemical Name:
5'-Guanylic acid, monoanhydride with imidodiphosphoric acid, trisodium salt (9CI)
CAS Number:
148892-91-5
Molecular Formula:
C10H14N6Na3O13P3
Molecular Weight:
588.1412
IUPAC Name:
trisodium;[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-[[hydroxy(oxido)phosphoryl]amino]phosphinate
InChI:
InChI=1S/C10H17N6O13P3.3Na/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22;;;/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24);;;/q;3*+1/p-3
InChI Key:
QGJNRMUNXAROIT-UHFFFAOYSA-K
SMILES:
OC1C(COP(=O)(OP(=O)(NP(=O)(O)[O-])[O-])[O-])OC(C1O)n1cnc2c1[nH]c(N)nc2=O.[Na+].[Na+].[Na+]
Properties
Complexity:
909
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
587.952g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
588.142g/mol
Monoisotopic Mass:
587.952g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
306A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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