KDE

prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid

Created:2008-01-18
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count5
Bond Count37
Aromatic Bond Count0
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Chemical Component Summary

Nameprop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid
SynonymsALPHA-7-EPI-(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL; prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulosidonic acid; prop-2-en-1-yl 3-deoxy-L-gulo-oct-2-ulosidonic acid; prop-2-en-1-yl 3-deoxy-gulo-oct-2-ulosidonic acid
Systematic Name (OpenEye OEToolkits)(2R,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-prop-2-enoxy-oxane-2-carboxylic acid
FormulaC11 H18 O8
Molecular Weight278.256
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C1(OC\C=C)OC(C(O)CO)C(O)C(O)C1
SMILESCACTVS3.341OC[CH](O)[CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C(O)=O
SMILESOpenEye OEToolkits1.5.0C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C(=O)O
Canonical SMILESCACTVS3.341 OC[C@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)O)O)C(=O)O
InChIInChI1.03 InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7+,8-,9-,11-/m1/s1
InChIKeyInChI1.03 LEEKAQBTVJRLOA-WNPHYYBUSA-N

Related Resource References

Resource NameReference
PubChem 49867192