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AOS : Summary

Code

AOS

One-letter code

X

Molecule name

D-ALLOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-allose
OpenEye OEToolkits 1.5.0 (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Formula

C6 H12 O6

Formal charge

0

Molecular weight

180.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CC(O)C(O)C(O)C(O)CO
SMILES CACTVS 3.341 OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(C(C(C=O)O)O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O

IUPAC InChI

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1

IUPAC InChI key

GZCGUPFRVQAUEE-BGPJRJDNSA-N
AOS

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2006-08-25

Last modified at

2020-06-24

Status

Released

Obsoleted

Not Assigned