Cyclohexyl-Hexyl-Beta-D-Maltoside
Thuốc Gốc
Small Molecule
CTHH: C24H44O11
PTK: 508.5996
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H44O11
Phân tử khối
508.5996
Monoisotopic mass
508.28836225
InChI
InChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m0/s1
InChI Key
InChIKey=WUCWJXGMSXTDAV-CLCPMULISA-N
IUPAC Name
(2S,3S,4R,5R,6S)-2-{[(2S,3S,4R,5R,6R)-6-[(6-cyclohexylhexyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2S,3S,4R,5R,6S)-2-{[(2S,3S,4R,5R,6R)-6-[(6-cyclohexylhexyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCC3CCCCC3)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O
Độ hòa tan
2.89e+00 g/l
logP
0.2
logS
-2.2
pKa (strongest acidic)
11.94
pKa (Strongest Basic)
-3
PSA
178.53 Å2
Refractivity
121.91 m3·mol-1
Polarizability
55.45 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
11
H Bond Donor Count
7
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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