Chemical Components in the PDB

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ARI : Summary

Code

ARI

One-letter code

X

Molecule name

(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate

Synonyms

[O4]-ACETOXY-2,3-DIDEOXYFUCOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
OpenEye OEToolkits 1.5.0 [(2R,3R,6R)-6-hydroxy-2-methyl-oxan-3-yl] ethanoate

Formula

C8 H14 O4

Formal charge

0

Molecular weight

174.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OC1C(OC(O)CC1)C)C
SMILES CACTVS 3.341 C[CH]1O[CH](O)CC[CH]1OC(C)=O
SMILES OpenEye OEToolkits 1.5.0 CC1C(CCC(O1)O)OC(=O)C
Canonical SMILES CACTVS 3.341 C[C@H]1O[C@@H](O)CC[C@H]1OC(C)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C

IUPAC InChI

InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1

IUPAC InChI key

NNWBJOVUTCFRGH-LPBLVHEISA-N
ARI

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned