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137154-74-6 | Guanosine, cyclic 3',5'-(hydrogen phosphate) 2'-(4-benzoylbenzoate) (9CI)
CAS No: 137154-74-6 Catalog No: AG0012VT MDL No:
Product Description
Catalog Number:
AG0012VT
Chemical Name:
Guanosine, cyclic 3',5'-(hydrogen phosphate) 2'-(4-benzoylbenzoate) (9CI)
CAS Number:
137154-74-6
Molecular Formula:
C24H20N5O9P
Molecular Weight:
553.4175
IUPAC Name:
[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(phosphonooxymethyl)-2,5-dihydrofuran-3-yl] 4-benzoylbenzoate
InChI:
InChI=1S/C24H20N5O9P/c25-24-27-20-18(21(31)28-24)26-12-29(20)22-17(10-16(37-22)11-36-39(33,34)35)38-23(32)15-8-6-14(7-9-15)19(30)13-4-2-1-3-5-13/h1-10,12,16,22H,11H2,(H2,33,34,35)(H3,25,27,28,31)/t16-,22+/m0/s1
InChI Key:
XOZMFXGWTIFWGN-KSFYIVLOSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)c1ccccc1)OC1=C[C@H](O[C@H]1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
553.1g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
553.424g/mol
Monoisotopic Mass:
553.1g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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