UCSF

ZINC09013130

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 28 Yes

Popular Name: (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diyl diacetate (2R,3R,4R,5R)-2-(Acetoxymethyl)-…

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CAS Numbers: 3181-38-2 , [3181-38-2]

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) -0.66 7.13 -31.63 1 12 0 152 394.34 8 ↓
Hi High (pH 8-9.5) -0.21 6.01 -60.75 0 12 -1 155 393.332 8 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5290927; US5596094; WO1995030683A1 IBM Patent Data

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