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Isodulcitol (PC000577)

Record Information
Version1.0
Creation date2015-10-09 22:31:20 UTC
Update date2017-01-19 02:36:28 UTC
FoodComEx IDPC000577
FoodDB RecordFDB001176
Chemical Information
NameIsodulcitol
DescriptionConstituent of many glycosides in plants. Quercetin (main constituent of lemon flavin) and Naringin (from grapefruit-canning wastes) have been used as sources A methylpentose whose L- isomer is found naturally in many plant glycosides and some gram-negative bacterial lipopolysaccharides.; Rhamnose (Rham) is a naturally-occurring deoxy sugar. It can be classified as either a methyl-pentose or a 6-deoxy-hexose. Rhamnose occurs in nature in its L-form as L-rhamnose (6-deoxy-L-mannose). This is unusual, since most of the naturally-occurring sugars are in D-form. Exceptions are the methyl pentoses L-fucose and L-rhamnose and the pentose L-arabinose.; Rhamnose is a component of the outer cell membrane of acid-fast bacteria in the Mycobacterium genus, which includes the organsism that causes tuberculosis. Isodulcitol is found in many foods, some of which are tarragon, sweet basil, garden cress, and coconut.
CAS Number3615-41-6
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
6-Deoxy-L-mannopyranoseHMDB
6-Deoxy-L-mannosemanual
6-Deoxy-L(+)-mannoseHMDB
6-Deoxy-mannoseHMDB
6-DeoxyhexopyranoseHMDB
6-DeoxyhexoseHMDB
6-DeoxymannoseHMDB
IsodulcitHMDB
Isodulcitoldb_source
L-(+)-Rhamnosebiospider
L-(+)-Rhamnose 1-hydrateHMDB
L-(+)-Rhamnose hydrate = 6-deoxy-L-mannose monohydrateHMDB
L-(+)-Rhamnose monohydrateHMDB
L-RhaChEBI
L-RhamnopyranoseChEBI
L-Rhamnosebiospider
L-Rhamnose for biochemistryHMDB
L-Rhamnose monohydrateHMDB
L(+)-RhamnoseHMDB
L(+)-Rhamnose monohydrateHMDB
Locaosebiospider
Lokaosedb_source
Mono(6-deoxy-b-L-mannopyranosyl) esterHMDB
Mono(6-deoxy-beta-L-mannopyranosyl) esterHMDB
P-(6-Deoxy-b-L-mannopyranosyl) esterHMDB
P-(6-Deoxy-beta-L-mannopyranosyl) esterHMDB
RhamnopyranoseHMDB
RhamnosemonohydrateHMDB
UDP-RhamnoseHMDB
Uridine 5-pyroateHMDB
Uridine diate rhamnoseHMDB
Chemical FormulaC18H36O15
IUPAC name2,3,4,5-tetrahydroxyhexanal; 5-(1-hydroxyethyl)oxolane-2,3,4-triol; 6-methyloxane-2,3,4,5-tetrol
InChI IdentifierInChI=1S/3C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5;1-2-3(7)4(8)5(9)6(10)11-2;1-3(8)5(10)6(11)4(9)2-7/h2*2-10H,1H3;2-6,8-11H,1H3
InChI KeyLSOFIIQFGYOXNZ-UHFFFAOYSA-N
Isomeric SMILESCC(O)C(O)C(O)C(O)C=O.CC(O)C1OC(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O
Average Molecular Weight492.4694
Monoisotopic Molecular Weight492.205420482
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentMedium-chain aldehydes
Alternative Parents
Substituents
  • Medium-chain aldehyde
  • Monosaccharide
  • Beta-hydroxy aldehyde
  • Alpha-hydroxyaldehyde
  • Tetrahydrofuran
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 93-95° (hydrate)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci X1177