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3S6 : Summary

Code

3S6

One-letter code

X

Molecule name

prop-2-en-1-yl beta-D-galactofuranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 prop-2-en-1-yl beta-D-galactofuranoside
OpenEye OEToolkits 1.9.2 (2S,3R,4R,5R)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-5-prop-2-enoxy-oxolane-3,4-diol

Formula

C9 H16 O6

Formal charge

0

Molecular weight

220.22 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(C/C=C)C1OC(C(O)C1O)C(O)CO
SMILES CACTVS 3.385 OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.9.2 C=CCOC1C(C(C(O1)C(CO)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@@H](O)[C@@H]1O[C@@H](OCC=C)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.9.2 C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O

IUPAC InChI

InChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1

IUPAC InChI key

ZOIPKVBHIUBYNB-GOFVFXDOSA-N
3S6

wwPDB Information

Atom count

31 (15 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

GZL

Defined at

2014-10-16

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned