Tìm theo
4-O-Methyl-Alpha-D-Glucuronic Acid
Thuốc Gốc
Small Molecule
CTHH: C7H12O7
PTK: 208.166
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H12O7
Phân tử khối
208.166
Monoisotopic mass
208.058302738
InChI
InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7-/m1/s1
InChI Key
InChIKey=WGLLPAPKWFDHHV-RLZVPWTLSA-N
IUPAC Name
(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-3-methoxyoxane-2-carboxylic acid
Traditional IUPAC Name
(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-3-methoxyoxane-2-carboxylic acid
SMILES
CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O
Độ hòa tan
3.34e+02 g/l
logP
-2
logS
0.21
pKa (strongest acidic)
3.34
pKa (Strongest Basic)
-3.7
PSA
116.45 Å2
Refractivity
40.54 m3·mol-1
Polarizability
18.32 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
... loading
... loading