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85737-04-8

85737-04-8 | Guanosine 5'-triphosphate lithium salt

CAS No: 85737-04-8 Catalog No: AG004S78 MDL No:

Product Description

Catalog Number:
AG004S78
Chemical Name:
Guanosine 5'-triphosphate lithium salt
CAS Number:
85737-04-8
Molecular Formula:
C10H15LiN4O14P3
Molecular Weight:
515.1068
IUPAC Name:
lithium;[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
InChI:
InChI=1S/C10H16N5O14P3.Li/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);/q;+1/p-1/t3-,5-,6-,9-;/m1./s1
InChI Key:
WDCLDKGIVWUKSE-GWTDSMLYSA-M
SMILES:
OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1[nH]cnc2=O.[Li]
EC Number:
288-514-3

Properties

Complexity:
939  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
528.999g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
529.112g/mol
Monoisotopic Mass:
528.999g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
298A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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