Chemical Components in the PDB

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5V4 : Summary

Code

5V4

One-letter code

X

Molecule name

(1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 (1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol

Formula

C9 H10 O2

Formal charge

0

Molecular weight

150.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1Cc2ccccc2[CH]1O
SMILES OpenEye OEToolkits 2.0.4 c1ccc2c(c1)CC(C2O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1Cc2ccccc2[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.4 c1ccc2c(c1)C[C@H]([C@@H]2O)O

IUPAC InChI

InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m1/s1

IUPAC InChI key

YKXXBEOXRPZVCC-RKDXNWHRSA-N
5V4

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-12-04

Last modified at

2016-02-12

Status

Released

Obsoleted

Not Assigned