3-Benzylaminocarbonylphenyl-Alpha-D-Galactoside
Các tên gọi khác (3) :
- BAPG
- N-BENZYL-3-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
- N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
Thuốc Gốc
Small Molecule
CTHH: C20H23NO7
PTK: 389.3991
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
389.3991
Monoisotopic mass
389.147452095
InChI
InChI=1S/C20H23NO7/c22-11-15-16(23)17(24)18(25)20(28-15)27-14-8-4-7-13(9-14)19(26)21-10-12-5-2-1-3-6-12/h1-9,15-18,20,22-25H,10-11H2,(H,21,26)/t15-,16+,17+,18-,20+/m1/s1
InChI Key
InChIKey=FSMWGHKWKYCPKE-QTVCLEQKSA-N
IUPAC Name
N-benzyl-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamide
Traditional IUPAC Name
N-benzyl-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamide
SMILES
[H][C@]1(CO)O[C@]([H])(OC2=CC=CC(=C2)C(=O)NCC2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
Độ hòa tan
2.49e+00 g/l
logP
0.2
logS
-2.2
pKa (strongest acidic)
12.2
pKa (Strongest Basic)
-1.2
PSA
128.48 Å2
Refractivity
98.77 m3·mol-1
Polarizability
38.93 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading