0G8

[(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate

Created:	2012-01-06
Last modified:	2014-08-27

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1 entries where 0G8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	2
Bond Count	37
Aromatic Bond Count	0

2D diagram of 0G8

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Chemical Component Summary
Name	[(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
Systematic Name (OpenEye OEToolkits)	[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate
Formula	C₈ H₁₃ N₃ O₉ P₂ S
Molecular Weight	389.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CS2
SMILES	CACTVS	3.370	NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(O)=O)O2
SMILES	OpenEye OEToolkits	1.7.6	C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
Canonical SMILES	CACTVS	3.370	NC1=NC(=O)N(C=C1)[C@@H]2CS[C@H](CO[P](O)(=O)O[P](O)(O)=O)O2
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
InChI	InChI	1.03	InChI=1S/C8H13N3O9P2S/c9-5-1-2-11(8(12)10-5)6-4-23-7(19-6)3-18-22(16,17)20-21(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1
InChIKey	InChI	1.03	AAHOBGDTTMOZKD-NKWVEPMBSA-N

Related Resource References

Resource Name	Reference
PubChem	10430394

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