5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOBUTYL-HEXANOIC ACID
Thuốc Gốc
Small Molecule
CTHH: C16H31NO3
PTK: 285.4222
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
285.4222
Monoisotopic mass
285.230393863
InChI
InChI=1S/C16H31NO3/c1-11(2)8-13(16(19)20)10-15(18)14(17)9-12-6-4-3-5-7-12/h11-15,18H,3-10,17H2,1-2H3,(H,19,20)/t13-,14+,15+/m1/s1
InChI Key
InChIKey=INCRGCAIRMMQQJ-ILXRZTDVSA-N
IUPAC Name
(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoic acid
Traditional IUPAC Name
(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoic acid
SMILES
[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)C[C@@]([H])(CC(C)C)C(O)=O
Độ hòa tan
1.98e-01 g/l
logP
0.74
logS
-3.2
pKa (strongest acidic)
4.56
pKa (Strongest Basic)
9.87
PSA
83.55 Å2
Refractivity
79.84 m3·mol-1
Polarizability
33.81 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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