G2M

2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine

Created:	2009-09-14
Last modified:	2011-06-04

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1 entries where G2M is found as a standalone ligand1 entries where G2M is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	3
Bond Count	57
Aromatic Bond Count	5

2D diagram of G2M

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Chemical Component Summary
Name	2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine
Systematic Name (OpenEye OEToolkits)	2-[[[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]propan-2-ylphosphonic acid
Formula	C₁₃ H₂₂ N₅ O₁₂ P₃
Molecular Weight	533.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=P(O)(O)C(C)(C)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
SMILES	CACTVS	3.352	CC(C)([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N
SMILES	OpenEye OEToolkits	1.7.0	CC(C)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1C(CC(O1)n2cnc3c2N=C(NC3=O)N)O
Canonical SMILES	CACTVS	3.352	CC(C)([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)NC(=Nc23)N
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C13H22N5O12P3/c1-13(2,31(21,22)23)32(24,25)30-33(26,27)28-4-7-6(19)3-8(29-7)18-5-15-9-10(18)16-12(14)17-11(9)20/h5-8,19H,3-4H2,1-2H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	NTNZTLKYOXRXOS-XLPZGREQSA-N

Related Resource References

Resource Name	Reference
PubChem	45480163, 135566493

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