Chemical Components in the PDB

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FW5 : Summary

Code

FW5

One-letter code

X

Molecule name

(2~{S})-3-methoxypropane-1,2-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-3-methoxypropane-1,2-diol

Formula

C4 H10 O3

Formal charge

0

Molecular weight

106.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COC[CH](O)CO
SMILES OpenEye OEToolkits 2.0.6 COCC(CO)O
Canonical SMILES CACTVS 3.385 COC[C@@H](O)CO
Canonical SMILES OpenEye OEToolkits 2.0.6 COC[C@H](CO)O

IUPAC InChI

InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1

IUPAC InChI key

PSJBSUHYCGQTHZ-BYPYZUCNSA-N
FW5

wwPDB Information

Atom count

17 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-02

Last modified at

2019-01-11

Status

Released

Obsoleted

Not Assigned