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Obsolete: DR5

Summary
Name:METHYL 4-O-L-GLUCOPYRANOSYL-ALPHA-L-RIBO-HEXOPYRANOSIDE
Synonyms:BETA-METHYLLACTOSIDE
Formula:C13 H24 O11
Formal charge:0
Formula weight:356.323 Da
Component type:saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04methyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside
OpenEye OEToolkits1.5.0(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC2C(O)C(OC1OC(CO)C(O)C(O)C1O)C(OC2OC)CO
SMILES_CANONICALCACTVS3.341CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
SMILESCACTVS3.341CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
SMILESOpenEye OEToolkits1.5.0COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChIInChI1.03InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
InChIKeyInChI1.03FHNIYFZSHCGBPP-ABBMIVAOSA-N

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건을2024-07-17부터공개중

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