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U8V

Summary
Name:6-O-butanoyl-alpha-D-glucopyranose
Formula:C10 H18 O7
Formal charge:0
Formula weight:250.246 Da
Component type:D-saccharide, alpha linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-O-butanoyl-alpha-D-glucopyranose
OpenEye OEToolkits2.0.7[(2~{R},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl butanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1C(C(O)C(O)C(COC(=O)CCC)O1)O
InChIInChI1.03InChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1
InChIKeyInChI1.03ZRXPGZBHTLDSIT-HOQQJHGQSA-N
SMILES_CANONICALCACTVS3.385CCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385CCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
SMILESOpenEye OEToolkits2.0.7CCCC(=O)OCC1C(C(C(C(O1)O)O)O)O

250059

PDB entries from 2026-03-04

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