5-[1-(Acetylamino)-3-Methylbutyl]-2,5-Anhydro-3,4-Dideoxy-4-(Methoxycarbonyl)Pentonic Acid
Thuốc Gốc
Small Molecule
CTHH: C14H23NO6
PTK: 301.3355
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
301.3355
Monoisotopic mass
301.152537473
InChI
InChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18)/t9-,10+,11-,12-/m1/s1
InChI Key
InChIKey=MUJPWSPVNZGJOW-WRWGMCAJSA-N
IUPAC Name
(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methoxycarbonyl)oxolane-2-carboxylic acid
Traditional IUPAC Name
(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methoxycarbonyl)oxolane-2-carboxylic acid
SMILES
[H][C@@](CC(C)C)(NC(C)=O)[C@]1([H])O[C@]([H])(C[C@@]1([H])C(=O)OC)C(O)=O
Độ hòa tan
9.29e+00 g/l
logP
0.5
logS
-1.5
pKa (strongest acidic)
3.89
pKa (Strongest Basic)
-0.27
PSA
101.93 Å2
Refractivity
72.39 m3·mol-1
Polarizability
30.73 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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