Tìm theo
(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
Thuốc Gốc
Small Molecule
CTHH: C15H28N2O5
PTK: 316.3932
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H28N2O5
Phân tử khối
316.3932
Monoisotopic mass
316.199822016
InChI
InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1
InChI Key
InChIKey=QJILQIWQVOAQBB-KRIYVDMXSA-N
IUPAC Name
(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
Traditional IUPAC Name
(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)-hexahydro-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
SMILES
[H][C@]12CO\C(=N/CCCCCCCC)N1[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O
Độ hòa tan
3.71e+00 g/l
logP
0.95
logS
-1.9
pKa (strongest acidic)
12.16
pKa (Strongest Basic)
2.52
PSA
105.75 Å2
Refractivity
80.43 m3·mol-1
Polarizability
35.59 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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