5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID
Thuốc Gốc
Small Molecule
CTHH: C15H29NO3
PTK: 271.3957
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
271.3957
Monoisotopic mass
271.214743799
InChI
InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1
InChI Key
InChIKey=SRFUYEFGHOTBHV-IHRRRGAJSA-N
IUPAC Name
(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid
Traditional IUPAC Name
(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-isopropylhexanoic acid
SMILES
[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)C[C@@]([H])(C(C)C)C(O)=O
Độ hòa tan
3.89e-01 g/l
logP
0.3
logS
-2.8
pKa (strongest acidic)
4.52
pKa (Strongest Basic)
9.87
PSA
83.55 Å2
Refractivity
75.24 m3·mol-1
Polarizability
31.75 Å3
Rotatable Bond Count
7
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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