This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Aconosine

PubChem CID: 170126

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Aconosine, Acnosine, 38839-95-1, BRN 1491936, 11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol, Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-, (1-alpha,14-alpha,16-beta)-, 20-ethyl-1,16-dimethoxyaconitane-8,14-diol, 11-ethyl-6,16-dimethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,8-diol, DTXSID60959626, 1alpha, 16beta-Dimethoxy, 8beta,14alpha-dihydroxy, N-ethylaconitane hydrochloride, Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-, (1alpha,14alpha,16beta)-
Topological Polar Surface Area 62.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 644.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Prediction Hob 0.0
Xlogp 1.2
Molecular Formula C22H35NO4
Prediction Swissadme 0.0
Inchi Key VCOQRRVEIUTMFC-UHFFFAOYSA-N
Fcsp3 1.0
Logs -2.582
Rotatable Bond Count 3.0
Logd 0.793
Compound Name Aconosine
Prediction Hob Swissadme 0.0
Exact Mass 377.257
Formal Charge 0.0
Monoisotopic Mass 377.257
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 377.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 12.0
Total Bond Stereocenter Count 0.0
Esol -2.7386550000000005
Inchi InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3
Smiles CCN1CC2CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC
Nring 6.0
Defined Bond Stereocenter Count 0.0