UCSF

ZINC00056461

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 5-Nitro-2-furaldehyde diacetate 5-Nitro-2-furaldehyde diacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 92-55-7 , N/A

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) 1.37 6.79 -14.87 0 8 0 112 243.171 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 127 - 129 Enamine Building Blocks
MP 127...129 Enamine Building Blocks
Melting_Point 87-92? Alfa-Aesar
Melting_Point 87-92° Alfa-Aesar
Mp [°C] 89 - 93 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
MP 91 TCI
purity 95 Enamine Building Blocks
Purity 98% APIChem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.