UCSF

ZINC01580161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 2,5,8,11-Tetraoxatridecan-13-ol 2,5,8,11-Tetraoxatridecan-13-ol

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CAS Numbers: 23783-42-8 , [23783-42-8]

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) -1.04 -3.75 -9.6 1 5 0 57 208.254 11 ↓

Vendor Notes

Note Type Comments Provided By
BP 125 / 1 TCI
BP [°C] 158 - 160 (p=5 torr) Acros Organics
Boiling_Point 158-160?/5mm Alfa-Aesar
Boiling_Point 158-160°/5mm Alfa-Aesar
ALOGPS_SOLUBILITY 3.18e+01 g/l DrugBank-experimental
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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