291

prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside

Created:2007-11-09
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count6
Bond Count39
Aromatic Bond Count0
2D diagram of 291

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Chemical Component Summary

Nameprop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
Synonymsprop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside; prop-2-en-1-yl 7-O-carbamoyl-L-glycero-D-manno-heptoside; prop-2-en-1-yl 7-O-carbamoyl-L-glycero-manno-heptoside
Systematic Name (OpenEye OEToolkits)[(2S)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-prop-2-enoxy-oxan-2-yl]ethyl] carbamate
FormulaC11 H19 N O8
Molecular Weight293.27
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N
SMILESCACTVS3.341NC(=O)OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0C=CCOC1C(C(C(C(O1)C(COC(=O)N)O)O)O)O
Canonical SMILESCACTVS3.341 NC(=O)OC[C@H](O)[C@H]1O[C@H](OCC=C)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O
InChIInChI1.03 InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1
InChIKeyInChI1.03 JSAVYXHOFSIYSH-UCKHGQTESA-N

Related Resource References

Resource NameReference
PubChem 23644577