Cyclohexyl-pentyl-maltoside
Các tên gọi khác (3) :
- 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE
- 5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
- CYMAL-5
Thuốc Gốc
Small Molecule
CTHH: C23H42O11
PTK: 494.573
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H42O11
Phân tử khối
494.573
Monoisotopic mass
494.272712186
InChI
InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
InChI Key
InChIKey=RVTGFZGNOSKUDA-ZNGNCRBCSA-N
IUPAC Name
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-[(5-cyclohexylpentyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
cymal-5
SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
4.92e+00 g/l
logP
-0.25
logS
-2
pKa (strongest acidic)
11.94
pKa (Strongest Basic)
-3
PSA
178.53 Å2
Refractivity
117.31 m3·mol-1
Polarizability
53.29 Å3
Rotatable Bond Count
11
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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