Identification

PhytoHub ID
PHUB002329
Name
Rhamnitol
Systematic Name
(2S,3S,4S,5S)-hexane-1,2,3,4,5-pentol
Synonyms
  • 1-deoxy-L-mannitol
  • 6-Deoxy-L-mannitol
  • L-RHAMNITOL
CAS Number
488-28-8
Average Mass
166.173
Monoisotopic Mass
166.084123551
Chemical Formula
C6H14O5
IUPAC Name
(2S,3S,4S,5S)-hexane-1,2,3,4,5-pentol
InChI Key
SKCKOFZKJLZSFA-BXKVDMCESA-N
InChI Identifier
InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1
SMILES
[H][C@@](C)(O)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)CO
Structure

Calculated Properties

Solubility (ALOGPS)
4.76e+02 g/l
LogS (ALOGPS)
0.46
LogP (ALOGPS)
-2.25
Hydrogen Acceptors
5
Hydrogen Donors
5
Rotatable Bond Count
4
Polar Surface Area
101.15
Refractivity
36.859899999999996
Polarizability
16.24725050306355
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9742106409022417
pKa (strongest acidic)
12.69525446645461
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Miscellaneous phytochemicals
Class
Miscellaneous phytochemicals
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Organooxygen compounds
Super-class
Organic oxygen compounds
Sub-class
Carbohydrates and carbohydrate conjugates
Direct Parent Name
Hexoses
Alternative Parent Names
["Fatty alcohols", "Hydrocarbon derivatives", "Polyols", "Primary alcohols", "Secondary alcohols"]
External Descriptor Annotations
["hexitol"]
Substituent Names
["Alcohol", "Aliphatic acyclic compound", "Fatty acyl", "Fatty alcohol", "Hexose monosaccharide", "Hydrocarbon derivative", "Polyol", "Primary alcohol", "Secondary alcohol"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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