Roxithromycin

Roxithromycin
SMILES
CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
CAS number
80214-83-1
Formula
C41 H76 N2 O15
Molecular weight
837.07g/mol
Melting point
not specified  tM/°C
Entropy of fusion
not specified  ΔfusS/J K-1 mol-1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 1.39E-27 7.13E-24 -23.1 EPI Suite estimation

Water solubility

t/°C SWS/mol m-3 SWL/mol m-3 log (SWL/mol m-3) method and notes reference
not specified

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 2.03E-29 -28.7 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 562 2.75 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 2.77E+31 31.4 EPI Suite estimation

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0 EPI Suite estimation

Half-life for degradation in water

t/°C half-life/day method and notes reference
25 180 EPI Suite estimation

Half-life for degradation in soil

t/°C half-life/day method and notes reference
25 360 EPI Suite estimation

Half-life for degradation in sediment

t/°C half-life/day method and notes reference
25 1621 EPI Suite estimation