(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTAN
Thuốc Gốc
Small Molecule
CTHH: C19H36O10P
PTK: 455.4569
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
455.4569
Monoisotopic mass
455.204608884
InChI
InChI=1S/C19H37O10P/c1-3-5-7-8-9-11-19(23)29-17(14-26-18(22)10-6-4-2)15-28-30(24,25)27-13-16(21)12-20/h16-17,20-21H,3-15H2,1-2H3,(H,24,25)/p-1/t16-,17+/m0/s1
InChI Key
InChIKey=UQSXQYRZHMGKIE-DLBZAZTESA-M
IUPAC Name
(2R)-1-{[(R)-((2S)-2,3-dihydroxypropyl phosphonato)]oxy}-3-(pentanoyloxy)propan-2-yl octanoate
Traditional IUPAC Name
(2R)-1-{[(R)-((2S)-2,3-dihydroxypropyl phosphonato)]oxy}-3-(pentanoyloxy)propan-2-yl octanoate
SMILES
[H][C@](O)(CO)CO[P@@]([O-])(=O)OC[C@@]([H])(COC(=O)CCCC)OC(=O)CCCCCCC
Độ hòa tan
1.59e+00 g/l
logP
2.49
logS
-2.5
pKa (strongest acidic)
1.89
pKa (Strongest Basic)
-3
PSA
151.65 Å2
Refractivity
106.77 m3·mol-1
Polarizability
46.57 Å3
Rotatable Bond Count
21
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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