Tìm theo
Beta-Hydroxytryptophane
Thuốc Gốc
Small Molecule
CTHH: C11H11N2O3
PTK: 219.2166
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H11N2O3
Phân tử khối
219.2166
Monoisotopic mass
219.076967228
InChI
InChI=1S/C11H11N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,14H,12H2,(H,15,16)/t9-,10-/m0/s1
InChI Key
InChIKey=CVFZGFYJYKPHDX-UWVGGRQHSA-N
IUPAC Name
(2S,3S)-2-amino-3-hydroxy-3-(indol-3-yl)propanoic acid
Traditional IUPAC Name
β-hydroxytryptophane
SMILES
N[C@@H]([C@@H](O)c1cnc2ccccc12)C(O)=O
Độ hòa tan
9.39e+00 g/l
logP
-2.3
logS
-1.4
pKa (strongest acidic)
1.94
pKa (Strongest Basic)
8.76
PSA
96.44 Å2
Refractivity
55.9 m3·mol-1
Polarizability
21.62 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
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