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146-91-8 | Guanosine 5'-(trihydrogen diphosphate)
CAS No: 146-91-8 Catalog No: AG001DLZ MDL No:
Product Description
Catalog Number:
AG001DLZ
Chemical Name:
Guanosine 5'-(trihydrogen diphosphate)
CAS Number:
146-91-8
Molecular Formula:
C10H15N5O11P2
Molecular Weight:
443.2005
IUPAC Name:
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
InChI:
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChI Key:
QGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
443.024g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
443.202g/mol
Monoisotopic Mass:
443.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
248A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6
Literature
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