(1s,6s,7r,8r,8ar)-1,6,7,8-Tetrahydroxyindolizidine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.

Indolizidines

Organic compounds

Organoheterocyclic compounds

Indolizidines

Calculated Property

kind Value Source
logP -2.1 ALOGPS
logS 0.77 ALOGPS
Water Solubility 1.11e+03 g/l ALOGPS
logP -2.6 ChemAxon
IUPAC Name (1S,6S,7R,8R,8aS)-octahydroindolizine-1,6,7,8-tetrol ChemAxon
Traditional IUPAC Name (1S,6S,7R,8R,8aS)-octahydroindolizine-1,6,7,8-tetrol ChemAxon
Molecular Weight 189.209 ChemAxon
Monoisotopic Weight 189.100107973 ChemAxon
SMILES O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]12 ChemAxon
Molecular Formula C8H15NO4 ChemAxon
InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7+,8+/m0/s1 ChemAxon
InChIKey InChIKey=JDVVGAQPNNXQDW-QYYLWSOASA-N ChemAxon
Polar Surface Area (PSA) 84.16 ChemAxon
Refractivity 44.44 ChemAxon
Polarizability 18.68 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 12.89 ChemAxon
pKa (strongest basic) 8.96 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Glucan 1,3-beta-glucosidase : in Yeast