Metabolite EGT0001663

Name
EGT0001663
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 480.94
Monoisotopic: 480.1550956
Chemical Formula
C24H29ClO8
InChI Key
FSUXVQNTXXUWEN-PZMMHDCHSA-N
InChI
InChI=1S/C24H29ClO8/c25-18-8-3-14(24-23(30)22(29)21(28)19(12-26)33-24)11-17(18)20(27)13-1-4-15(5-2-13)31-9-10-32-16-6-7-16/h1-5,8,11,16,19-24,26-30H,6-7,9-10,12H2/t19-,20?,21-,22+,23-,24+/m1/s1
IUPAC Name
(2S,3R,4R,5S,6R)-2-(4-chloro-3-{[4-(2-cyclopropoxyethoxy)phenyl](hydroxy)methyl}phenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(=C1)C(O)C1=CC=C(OCCOC2CC2)C=C1
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.176 mg/mLALOGPS
logP1.68ALOGPS
logP1.1Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)12.52Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area128.84 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity119.8 m3·mol-1Chemaxon
Polarizability50.23 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon