Perseitol
precursor
Showing entry for Perseitol
Identification
- PhytoHub ID
- PHUB001956
- Name
- Perseitol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- 527-06-0
- Average Mass
- 212.198
- Monoisotopic Mass
- 212.089602855
- Chemical Formula
- C7H16O7
- IUPAC Name
- (2R,3R,4R,5R,6S)-heptane-1,2,3,4,5,6,7-heptol
- InChI Key
- OXQKEKGBFMQTML-BIVRFLNRSA-N
- InChI Identifier
InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4+,5-,6-,7+/m1/s1
- SMILES
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
- Structure
Structure for Perseitol
Calculated Properties
- Solubility (ALOGPS)
- 2.89e+02 g/l
- LogS (ALOGPS)
- 0.13
- LogP (ALOGPS)
- -2.71
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 7
- Rotatable Bond Count
- 6
- Polar Surface Area
- 141.61
- Refractivity
- 44.366099999999996
- Polarizability
- 19.99042367248536
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.974211733461736
- pKa (strongest acidic)
- 12.460608929313874
- Number of Rings
- 0
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Not Available
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
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