UCSF

ZINC18006959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 12 Yes

Popular Name: Galactitol Galactitol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50-70-4 , 608-66-2 , 643-01-6 , 643-03-8

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -3.09 -12.44 -11.19 6 6 0 121 182.172 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 167 - 169 Enamine Building Blocks
MP 167...169 Enamine Building Blocks
Melting_Point 187-191? Alfa-Aesar
Melting_Point 187-191° Alfa-Aesar
Mp [°C] 188 - 189 Acros Organics
MP 189 TCI
BP [°C] 275 - 280 (p=1 torr) Acros Organics
Boiling_Point 275-280?/1mm Alfa-Aesar
Boiling_Point 275-280°/1mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 98-100 °C(lit.) Indofine
Purity 99% Fluorochem
UniProt Database Links ALD1_MOUSE; ALD1_RAT; ALD2_CRIGR; ALD2_MOUSE; ALDR_BOVIN; ALDR_ENCCU; ALDR_HORVU; ALDR_HUMAN; ALDR_MOUSE; ALDR_PIG; ALDR_RABIT; ALDR_RAT; ALRA_DICDI; ALRB_DICDI; ALRC_DICDI; DHSO_RHOSH; GALK1_HUMAN; GATD_ECO57; GATD_ECOLI; GATR_ECOLI; GATY_ECO24; GATY_ECO ChEBI
Patent Database Links EP1604647; EP1887017; US2004143024; US2004152907; US2007212417; US2007259038; US2007270335; US2008242721; WO2005047228; WO2007103528; WO2007112574; WO2007130373 ChEBI
SOLUBILITY H2O: 1 M at 20 °C, clear, colorless Indofine
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )