Chemical Components in the PDB

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RV8 : Summary

Code

RV8

One-letter code

X

Molecule name

Triglycidyl isocyanurate

Synonyms

1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione

Formula

C12 H15 N3 O6

Formal charge

0

Molecular weight

297.264 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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

IUPAC InChI key

OUPZKGBUJRBPGC-CIUDSAMLSA-N
RV8

wwPDB Information

Atom count

36 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-10-22

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned