Tìm theo
(1s,6s,7r,8r,8ar)-1,6,7,8-Tetrahydroxyindolizidine
Thuốc Gốc
Small Molecule
CAS: 79831-76-8
CTHH: C8H15NO4
PTK: 189.209
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
189.209
Monoisotopic mass
189.100107973
InChI
InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7+,8+/m0/s1
InChI Key
InChIKey=JDVVGAQPNNXQDW-QYYLWSOASA-N
IUPAC Name
(1S,6S,7R,8R,8aS)-octahydroindolizine-1,6,7,8-tetrol
Traditional IUPAC Name
(1S,6S,7R,8R,8aS)-octahydroindolizine-1,6,7,8-tetrol
SMILES
O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]12
Độ hòa tan
1.11e+03 g/l
logP
-2.6
logS
0.77
pKa (strongest acidic)
12.89
pKa (Strongest Basic)
8.96
PSA
84.16 Å2
Refractivity
44.44 m3·mol-1
Polarizability
18.68 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
... loading
... loading