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101212-50-4 | Guanosine 5'-(tetrahydrogen triphosphate), 8-amino- (9CI)
CAS No: 101212-50-4 Catalog No: AG0003Z3 MDL No:
Product Description
Catalog Number:
AG0003Z3
Chemical Name:
Guanosine 5'-(tetrahydrogen triphosphate), 8-amino- (9CI)
CAS Number:
101212-50-4
Molecular Formula:
C10H17N6O14P3
Molecular Weight:
538.1951
IUPAC Name:
[5-(2,8-diamino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy-[hydroxy(oxo)phosphaniumyl]oxyphosphoryl]oxy-oxophosphanium
InChI:
InChI=1S/C10H12N6O12P3/c11-9-14-6-3(7(19)15-9)13-10(12)16(6)8-5(18)4(17)2(26-8)1-25-30(22)28-31(23,24)27-29(20)21/h2,4-5,8,17-18H,1H2,(H4-3,11,12,13,14,15,19,20,21,23,24)/q-1/p+3
InChI Key:
RCCUNRUBSOUUAJ-UHFFFAOYSA-Q
SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1c(N)nc2c1nc(N)[nH]c2=O
Properties
Complexity:
846
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.996g/mol
Formal Charge:
2
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
504.181g/mol
Monoisotopic Mass:
503.996g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
280A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7
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