18D

3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

Created:2009-04-27
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count6
Bond Count43
Aromatic Bond Count0
2D diagram of 18D

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Chemical Component Summary

Name3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Synonyms3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosonic acid; 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosonic acid; 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosonic acid
Systematic Name (OpenEye OEToolkits)(2R,4S,5R,6R)-2,4-dihydroxy-5-(propanoylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
FormulaC12 H21 N O9
Molecular Weight323.296
TypeD-SACCHARIDE, ALPHA LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C1
SMILESCACTVS3.352CCC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
SMILESOpenEye OEToolkits1.6.1CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
Canonical SMILESCACTVS3.352 CCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Canonical SMILESOpenEye OEToolkits1.6.1 CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
InChIInChI1.03 InChI=1S/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12+/m0/s1
InChIKeyInChI1.03 QZBCMZXFDLYCRV-BLMTXZDNSA-N

Related Resource References

Resource NameReference
PubChem 44157356