RV8

Triglycidyl isocyanurate

Created:	2020-10-22
Last modified:	2021-03-13

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1 entries where RV8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	3
Bond Count	39
Aromatic Bond Count	0

2D diagram of RV8

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Chemical Component Summary
Name	Triglycidyl isocyanurate
Synonyms	1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
Systematic Name (OpenEye OEToolkits)	1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
Formula	C₁₂ H₁₅ N₃ O₆
Molecular Weight	297.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C(=O)N1C[CH]4CO4
SMILES	OpenEye OEToolkits	2.0.7	C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4
Canonical SMILES	CACTVS	3.385	O=C1N(C[C@H]2CO2)C(=O)N(C[C@H]3CO3)C(=O)N1C[C@H]4CO4
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4
InChI	InChI	1.03	InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9-/m0/s1
InChIKey	InChI	1.03	OUPZKGBUJRBPGC-CIUDSAMLSA-N

Related Resource References

Resource Name	Reference
PubChem	11197252
CCDC/CSD	CIVCEP02

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.