Maltosyl-Alpha (1,4)-D-Gluconhydroximo-1,5-Lactam
Thuốc Gốc
Small Molecule
CTHH: C18H32N2O15
PTK: 516.4511
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
516.4511
Monoisotopic mass
516.180268364
InChI
InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5+,6-,7+,8-,9-,10-,11+,12+,13-,14+,15-,17-,18+/m1/s1
InChI Key
InChIKey=AHRWQUNEPBVNOT-JUQSOTOUSA-N
IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
OC[C@H]1N\C(=N/O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Độ hòa tan
1.94e+02 g/l
logP
-6.9
logS
-0.43
pKa (strongest acidic)
9.33
pKa (Strongest Basic)
-3.6
PSA
283.84 Å2
Refractivity
105.38 m3·mol-1
Polarizability
48.52 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
17
H Bond Donor Count
12
Physiological Charge
0
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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