1-[Glycerolylphosphonyl]-2-[8-(2-Hexyl-Cyclopropyl)-Octanal-1-Yl]-3-[Hexadecanal-1-Yl]-Glycerol
Thuốc Gốc
Small Molecule
CTHH: C39H75O10P
PTK: 734.9806
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C39H75O10P
Phân tử khối
734.9806
Monoisotopic mass
734.509785132
InChI
InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35-,36+,37+/m1/s1
InChI Key
InChIKey=JWIOKCJPLNKYBQ-MDOFDWFASA-N
IUPAC Name
[(2S)-2,3-dihydroxypropoxy][(2S)-3-(hexadecanoyloxy)-2-({8-[(1R,2R)-2-hexylcyclopropyl]octanoyl}oxy)propoxy]phosphinic acid
Traditional IUPAC Name
(2S)-2,3-dihydroxypropoxy(2S)-3-(hexadecanoyloxy)-2-({8-[(1R,2R)-2-hexylcyclopropyl]octanoyl}oxy)propoxyphosphinic acid
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC[C@@H]1C[C@H]1CCCCCC
Độ hòa tan
1.27e-04 g/l
logP
10.6
logS
-6.8
pKa (strongest acidic)
1.89
pKa (Strongest Basic)
-3
PSA
148.82 Å2
Refractivity
198 m3·mol-1
Polarizability
88.62 Å3
Rotatable Bond Count
39
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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