H5C

9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione

Created:	2020-11-12
Last modified:	2022-02-02

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1 entries where H5C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	4
Bond Count	37
Aromatic Bond Count	5

2D diagram of H5C

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Chemical Component Summary
Name	9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione
Systematic Name (OpenEye OEToolkits)	9-[(2~{R},3~{R},4~{R})-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3~{H}-purine-2,6-dione
Formula	C₁₁ H₁₄ N₄ O₆
Molecular Weight	298.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CO[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3C(=O)NC(=O)Nc23
SMILES	OpenEye OEToolkits	2.0.7	COC1C(C(OC1n2cnc3c2NC(=O)NC3=O)CO)O
Canonical SMILES	CACTVS	3.385	CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3C(=O)NC(=O)Nc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	CO[C@@H]1[C@@H](C(O[C@H]1n2cnc3c2NC(=O)NC3=O)CO)O
InChI	InChI	1.03	InChI=1S/C11H14N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-3-12-5-8(15)13-11(19)14-9(5)18/h3-4,6-7,10,16-17H,2H2,1H3,(H2,13,14,18,19)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	PASFATVSJBQETG-KQYNXXCUSA-N

Related Resource References

Resource Name	Reference
PubChem	139985499

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