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13098-76-5 | Guanosine 3'-(trihydrogen diphosphate) (9CI)
CAS No: 13098-76-5 Catalog No: AG000V7Y MDL No:
Product Description
Catalog Number:
AG000V7Y
Chemical Name:
Guanosine 3'-(trihydrogen diphosphate) (9CI)
CAS Number:
13098-76-5
Molecular Formula:
C10H15N5O11P2
Molecular Weight:
443.2005
IUPAC Name:
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphono hydrogen phosphate
InChI:
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)24-9)25-28(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:
GNKPWIYRLONLSO-UUOKFMHZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OP(=O)(O)O)O)O)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
| Title | Journal |
|---|---|
| [Functionally important sites in the elongation factor EF-Tu from Thermus aquaticus: analysis of fine structural changes upon binding of guanosine-3'-triphosphate and guanosine-3'-diphosphate]. | Biofizika 20010101 |
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