Chemical Components in the PDB

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RSG : Summary

Code

RSG

One-letter code

X

Molecule name

(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol
OpenEye OEToolkits 1.7.2 (3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol

Formula

C6 H10 O3

Formal charge

0

Molecular weight

130.142 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1COC2OCCC12
SMILES CACTVS 3.370 O[CH]1CO[CH]2OCC[CH]12
SMILES OpenEye OEToolkits 1.7.2 C1COC2C1C(CO2)O
Canonical SMILES CACTVS 3.370 O[C@@H]1CO[C@@H]2OCC[C@H]12
Canonical SMILES OpenEye OEToolkits 1.7.2 C1CO[C@@H]2[C@H]1[C@@H](CO2)O

IUPAC InChI

InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m1/s1

IUPAC InChI key

RCDXYCHYMULCDZ-PBXRRBTRSA-N
RSG

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-05-04

Last modified at

2011-09-16

Status

Released

Obsoleted

Not Assigned