2M5

?

Summary

Name:methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside
Synonyms:methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside
methyl 7-deoxy-L-glycero-D-manno-heptoside; methyl 7-deoxy-L-glycero-manno-heptoside
Formula:C8 H16 O6
Formal charge:0
Molecular weight:208.209 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside
OpenEye OEToolkits1.7.0(2R,3S,4S,5S,6S)-2-[(1S)-1-hydroxyethyl]-6-methoxy-oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1C(O)C(O)C(OC1OC)C(O)C
SMILES_CANONICALCACTVS3.370CO[C@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.370CO[CH]1O[CH]([CH](C)O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O
SMILESOpenEye OEToolkits1.7.0CC(C1C(C(C(C(O1)OC)O)O)O)O
InChIInChI1.03InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1
InChIKeyInChI1.03PNWOVLBMFHSUMR-IHKZFYOVSA-N
167132
PDB entries from 2020-07-29