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Lactoyl-CoA
Venetoclax
Cryptolepine
10001-82-8
Cefepime Impurity A
chem960
62950-38-3
Guanosine 5'-(trihydrogen diphosphate), 2'-O-methyl- | 62950-38-3
Product name:Guanosine 5'-(trihydrogen diphosphate), 2'-O-methyl-
CAS No:
62950-38-3
MF:C11H17N5O11P2
MW:457.22718
CID:428379
PubChem ID:
146373762
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Basic Information
Names and Identifiers
Guanosine 5'-(trihydrogen diphosphate), 2'-O-methyl-
62950-38-3
((2R,3R,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-hydroxy-4-methoxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
SCHEMBL21715305
InChIKey:FKKDQGMOLFLFBW-KQYNXXCUSA-N
Inchi:InChI=1S/C11H17N5O11P2/c1-24-7-6(17)4(2-25-29(22,23)27-28(19,20)21)26-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
SMILES:COC1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O
Chemical and Physical Properties
Computed Properties
Exact Mass: 457.04011
Hydrogen Bond Donor Count: 6
Hydrogen Bond Acceptor Count: 13
Rotatable Bond Count: 7
Monoisotopic Mass: 457.03998037g/mol
Heavy Atom Count: 29
Complexity: 776
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 4
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
XLogP3: -4.1
Topological Polar Surface Area: 237Ų
Experimental Properties
PSA: 237.28
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