Identification

PhytoHub ID
PHUB002335
Name
Xylose
Systematic Name
(3R,4S,5R)-oxane-2,3,4,5-tetrol
Synonyms
  • D-xylopentose
  • D-Xylopyranose
CAS Number
10257-31-5
Average Mass
150.13
Monoisotopic Mass
150.052823422
Chemical Formula
C5H10O5
IUPAC Name
(3R,4S,5R)-oxane-2,3,4,5-tetrol
InChI Key
SRBFZHDQGSBBOR-IOVATXLUSA-N
InChI Identifier
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
SMILES
[H][C@@]1(O)COC([H])(O)[C@]([H])(O)[C@@]1([H])O
Structure

Calculated Properties

Solubility (ALOGPS)
1.22e+03 g/l
LogS (ALOGPS)
0.91
LogP (ALOGPS)
-2.57
Hydrogen Acceptors
5
Hydrogen Donors
4
Rotatable Bond Count
0
Polar Surface Area
90.15
Refractivity
29.96089999999999
Polarizability
13.30615672743472
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.526571835018269
pKa (strongest acidic)
11.31062424774241
Number of Rings
1
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
Pentoses
Alternative Parent Names
["Hemiacetals", "Hydrocarbon derivatives", "Oxacyclic compounds", "Oxanes", "Polyols", "Secondary alcohols"]
External Descriptor Annotations
["Aldoses", "D-xylose"]
Substituent Names
["Alcohol", "Aliphatic heteromonocyclic compound", "Hemiacetal", "Hydrocarbon derivative", "Organoheterocyclic compound", "Oxacycle", "Oxane", "Pentose monosaccharide", "Polyol", "Secondary alcohol"]

Spectra from Phytohub

Food Sources

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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