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OAK

Summary
Name:N-(phenylcarbonyl)-beta-D-glucopyranosylamine
Synonyms:N-(phenylcarbonyl)-beta-D-glucosylamine
N-(phenylcarbonyl)-D-glucosylamine; N-(phenylcarbonyl)-glucosylamine
Formula:C13 H17 N O6
Formal charge:0
Formula weight:283.277 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(phenylcarbonyl)-beta-D-glucopyranosylamine
OpenEye OEToolkits1.5.0N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC1OC(C(O)C(O)C1O)CO)c2ccccc2
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341OC[CH]1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(=O)NC2C(C(C(C(O2)CO)O)O)O
InChIInChI1.03InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyInChI1.03SPYSOSUFGSNSMY-BZNQNGANSA-N

223532

数据于2024-08-07公开中

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