Undecyl-Beta-D-Maltopyranoside
Thuốc Gốc
Small Molecule
CTHH: C23H44O11
PTK: 496.5889
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
496.5889
Monoisotopic mass
496.28836225
InChI
InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21+,22-,23+/m0/s1
InChI Key
InChIKey=UYEMNFYVTFDKRG-LGCFCJMNSA-N
IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2S,3S,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2R,3S,4R,5R,6S)-2-{[(2S,3S,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
CCCCCCCCCCCO[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
3.84e+00 g/l
logP
0.38
logS
-2.1
pKa (strongest acidic)
11.94
pKa (Strongest Basic)
-3
PSA
178.53 Å2
Refractivity
119.17 m3·mol-1
Polarizability
55.04 Å3
Rotatable Bond Count
15
H Bond Acceptor Count
11
H Bond Donor Count
7
Physiological Charge
0
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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