2-Amino-3-(Cystein-S-Yl)-Isoxazolidin-5-Yl-Acetic Acid
Thuốc Gốc
Small Molecule
CTHH: C8H15N3O5S
PTK: 265.287
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H15N3O5S
Phân tử khối
265.287
Monoisotopic mass
265.073241295
InChI
InChI=1S/C8H15N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-6,11H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4+,5+,6+/m0/s1
InChI Key
InChIKey=YLODKYYPRFTBNK-SLPGGIOYSA-N
IUPAC Name
(2R)-2-amino-3-{[(3R,5R)-5-[(R)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl}propanoic acid
Traditional IUPAC Name
(2R)-2-amino-3-{[(3R,5R)-5-[(R)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl}propanoic acid
SMILES
N[C@@H](CS[C@@H]1C[C@@H](ON1)[C@@H](N)C(O)=O)C(O)=O
Độ hòa tan
1.85e+01 g/l
logP
-6
logS
-1.2
pKa (strongest acidic)
1.13
pKa (Strongest Basic)
9.29
PSA
147.9 Å2
Refractivity
68.48 m3·mol-1
Polarizability
24.83 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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