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3'-O-Methyl-GTP ,3'-O-Methylguanosine triphosphate ,Guanosine

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摘 要:3'-O-Methyl-GTP ,3'-O-Methylguanosine triphosphate ,Guanosine 5'-(tetrahydrogen triphosphate), 2'-O-methyl-,61556-45-4, [(2R,3S,,4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-methoxyoxolan-2-yl],methyl (hydroxy-phosphonooxyphosphory
[Synonyms]
3'-O-Methyl-GTP
3'-O-Methylguanosine triphosphate
Guanosine 5'-(tetrahydrogen triphosphate), 2'-O-methyl-
61556-45-4

[Structure]
3'-O-Methyl-GTP ,3'-O-Methylguanosine triphosphate ,Guanosine

[ Properties Computed from Structure]
Molecular Weight537.207003 [g/mol]
Molecular FormulaC11H18N5O14P3
XLogP-5.7
H-Bond Donor7
H-Bond Acceptor18
Rotatable Bond Count9
Tautomer Count6
Exact Mass537.00631
MonoIsotopic Mass537.00631
Topological Polar Surface Area284
Heavy Atom Count33
Formal Charge0
Complexity944
Isotope Atom Count0
Defined Atom StereoCenter Count3
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [(2R,3S,
4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-methoxyoxolan-2-yl]
methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Canonical SMILES: COC1C(OC(C1O)N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
Isomeric SMILES: CO[C@@H]1[C@H](OC([C@@H]1O)N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=
O)(O)O
InChI: InChI=1/C11H18N5O14P3/c1-26-7-4(2-27-32(22,23)30-33(24,25)29-31(19,
20)21)28-10(6(7)17)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,
2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,
10?/m1/s1/f/h14,19-20,22,24H,12H2

 
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