(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE
Thuốc Gốc
Small Molecule
CTHH: C13H17NO5S
PTK: 299.343
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
299.343
Monoisotopic mass
299.082743349
InChI
InChI=1S/C13H17NO5S/c1-4-5-18-13(17)9-6-20-12-10(11(16)14(9)12)7(2)19-8(3)15/h6-7,10,12H,4-5H2,1-3H3/t7-,10+,12+/m1/s1
InChI Key
InChIKey=NEPDBQXSCUYOPA-VHRDEZTHSA-N
IUPAC Name
propyl (5S,6S)-6-[(1R)-1-(acetyloxy)ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Traditional IUPAC Name
propyl (5S,6S)-6-[(1R)-1-(acetyloxy)ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILES
[H][C@](C)(OC(C)=O)[C@@]1([H])C(=O)[N@]2C(=CS[C@@]12[H])C(=O)OCCC
Độ hòa tan
1.43e+00 g/l
logP
0.74
logS
-2.3
pKa (strongest acidic)
15.1
pKa (Strongest Basic)
-6.8
PSA
72.91 Å2
Refractivity
73.22 m3·mol-1
Polarizability
30.38 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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