In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2008 | 10 | Yes |
Popular Name: Xylitol Xylitol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 488-81-3 , 488-82-4 , 6018-27-5 , 7643-75-6 , 87-99-0 , [488-81-3] , [488-82-4] , [7643-75-6] , [87-99-0]
(2R,3R,4S)-pentane-1,2,3,4,5-pentaol; 87-99-0; D-xylitol; xylitol
1,2,3,4,5-Pentanepentol; Adonit; Adonite; Adonitol; Pentitol; Ribitol; bmse000886
1,2,3,4,5-Pentanepentol;Adonit;Adonite;Adonitol;Pentitol;Ribitol
488-81-3; Adonitol; C00474; Ribitol
488-81-3; D-adonitol; D-ribitol; Ribitol; adonitol; meso-ribitol
87-99-0; D00061; Klinit (TN); Xylitol (JP16/NF)
Adonitol [488-81-3]; (Ribitol)
Arabitol;D-(+)-Arabitol;D-Arabinitol;D-Arabinol;D-Lyxitol
CHEBI:57591; CHEBI:4230; CHEBI:26552; CHEBI:27854; CHEBI:21074; CHEBI:15043; CHEBI:8841
Eutrit; Kannit; Klinit; Newtol; Xylite; Xylite (sugar); Xylitol; Xyliton; bmse000129
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -2.67 | -8.82 | -10.23 | 5 | 5 | 0 | 101 | 152.146 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 101 - 104 | Acros Organics |
MP | 101-104 °C(lit.) | Indofine |
MP | 102 | TCI |
Melting_Point | 102-104? | Alfa-Aesar |
Melting_Point | 102-104° | Alfa-Aesar |
ALOGPS_SOLUBILITY | 6.64e+02 g/l | DrugBank-experimental |
MP | 92 | TCI |
Mp [°C] | 92 - 96 | Acros Organics |
Melting_Point | 92-96? | Alfa-Aesar |
Melting_Point | 92-96° | Alfa-Aesar |
MP | 94-97 °C(lit.) | Indofine |
Mp [°C] | 97 - 105 | Acros Organics |
Mp [°C] | 99 - 103 | Acros Organics |
Target | Antifection | Selleck Chemicals |
UniProt Database Links | DHPSL_METJA; DHSO_ARATH; GRDH1_ARATH; GRDH2_ARATH; GRDH_DAUCA; GRDH_ORYSJ; LAD_ASPOZ; LAD_NEUCR; RBTR_ENTAE; RBTT_KLEPN; RPIA_HUMAN; SLDA_GLUOX; SLDA_GLUTH; SLDB_GLUOX; SLDB_GLUTH; TARI_BACPZ; TARJ_BACPZ; TARK_BACPZ; TARL_BACPZ | ChEBI |
Patent Database Links | EP1553099; EP1604647; US2004152907; US2007203074; US2007212417; US2007248693; US2007259038; US2008242721; WO2005047228; WO2007087064; WO2007097648; WO2007103441; WO2007103528; WO2007130373 | ChEBI |
SOLUBILITY | H2O: 0.1 g/mL, clear, colorless | Indofine |
Target | Others | Selleck Chemicals |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.