UCSF

ZINC00155675

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Popular Name: 8-Bromoadenosine 8-Bromoadenosine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2946-39-6 , [2946-39-6]

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) 0.28 -4.48 -14.04 5 9 0 140 346.141 2 ↓
Lo Low (pH 4.5-6) 0.28 -4.22 -34.74 6 9 1 141 347.149 2 ↓
Lo Low (pH 4.5-6) 0.28 -8.59 -36.44 6 9 1 141 347.149 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 210 - 212 Acros Organics
Purity 95% Fluorochem
Melting_Point ca 211? dec. Alfa-Aesar
Melting_Point ca 211° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0169775A1; EP0346400A1; EP0483249A1; EP0499291A1; EP0586523A1; EP0599987A1; EP0702675A1; EP0704215A2; EP0704215A3; EP0708781A1; EP0716604A1; EP0742790A1; EP0753525A1; EP0755255A1; EP0828750A1; EP1001786A1; EP1007057A1; US4038480; US4058659; US4091203; U IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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