Tìm theo
METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE
Thuốc Gốc
Small Molecule
CTHH: C12H20O7
PTK: 276.283
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H20O7
Phân tử khối
276.283
Monoisotopic mass
276.120902994
InChI
InChI=1S/C12H20O7/c1-7(13)4-11(16)19-9(3)6-12(17)18-8(2)5-10(14)15/h7-9,13H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9-/m1/s1
InChI Key
InChIKey=CWLWBMWELZSMPG-IWSPIJDZSA-N
IUPAC Name
(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid
Traditional IUPAC Name
(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid
SMILES
C[C@@H](O)CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(O)=O
Độ hòa tan
1.05e+01 g/l
logP
0.17
logS
-1.4
pKa (strongest acidic)
3.91
pKa (Strongest Basic)
-2.6
PSA
110.13 Å2
Refractivity
63.41 m3·mol-1
Polarizability
27.63 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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