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.

S-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate

PubChem CID: 49865742

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

Compound Synonyms CHEMBL1223893
Topological Polar Surface Area 134.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 390.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name S-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
Prediction Hob 1.0
Xlogp 0.3
Molecular Formula C15H21NO6S
Prediction Swissadme 1.0
Inchi Key RCDPXXDNDCJACU-CNJBRALLSA-N
Fcsp3 0.5333333333333333
Logs -3.117
Rotatable Bond Count 5.0
Logd 0.794
Compound Name S-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
Prediction Hob Swissadme 1.0
Exact Mass 343.109
Formal Charge 0.0
Monoisotopic Mass 343.109
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 343.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -2.3676296782608697
Inchi InChI=1S/C15H21NO6S/c1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(20)23-2/h3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,20)/t8-,11-,12+,13+,14-/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CNC(=O)SC)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0