3-Hydroxy-4-(3,4,5-Trihydroxy-Tetrahydro-Pyran-2-Yloxy)-Piperidin-2-One
Thuốc Gốc
Small Molecule
CTHH: C10H17NO7
PTK: 263.2445
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H17NO7
Phân tử khối
263.2445
Monoisotopic mass
263.100501903
InChI
InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5+,6-,7+,8+,10-/m0/s1
InChI Key
InChIKey=BHZMHPRIYUPDCT-SANCVPIZSA-N
IUPAC Name
(3R,4R)-3-hydroxy-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}piperidin-2-one
Traditional IUPAC Name
(3R,4R)-3-hydroxy-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}piperidin-2-one
SMILES
O[C@H]1CO[C@@H](O[C@@H]2CCNC(=O)[C@@H]2O)[C@H](O)[C@H]1O
Độ hòa tan
3.45e+02 g/l
logP
-3.3
logS
0.12
pKa (strongest acidic)
11.91
pKa (Strongest Basic)
-3.5
PSA
128.48 Å2
Refractivity
56.12 m3·mol-1
Polarizability
24.82 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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