CX0

[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

Created:	2019-05-24
Last modified:	2022-03-30

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2 entries where CX0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	4
Bond Count	46
Aromatic Bond Count	10

2D diagram of CX0

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Chemical Component Summary
Name	[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula	C₁₀ H₁₆ N₆ O₁₀ P₂
Molecular Weight	442.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2n1
SMILES	OpenEye OEToolkits	2.0.7	c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N
Canonical SMILES	CACTVS	3.385	Nc1nc(N)c2ncn([C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N
InChI	InChI	1.03	InChI=1S/C10H16N6O10P2/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey	InChI	1.03	LOLGBDCHBIGJHI-UUOKFMHZSA-N

Related Resource References

Resource Name	Reference
PubChem	3013085

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