L-Alpha-Phosphatidyl-Beta-Oleoyl-Gamma-Palmitoyl-Phosphatidylethanolamine
Thuốc Gốc
Small Molecule
CTHH: C39H68NO8P
PTK: 709.9329
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C39H68NO8P
Phân tử khối
709.9329
Monoisotopic mass
709.468254669
InChI
InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h3,5,8,10-11,13-14,16,18,20,37H,4,6-7,9,12,15,17,19,21-36,40H2,1-2H3,(H,43,44)/b5-3+,10-8+,13-11+,16-14+,20-18+/t37-/m0/s1
InChI Key
InChIKey=MABRTXOVHMDVAT-LNOVHSNCSA-N
IUPAC Name
(2-aminoethoxy)[(2S)-2-[(9E,12E)-hexadeca-9,12-dienoyloxy]-3-[(8E,12E,16E)-octadeca-8,12,16-trienoyloxy]propoxy]phosphinic acid
Traditional IUPAC Name
2-aminoethoxy(2S)-2-[(9E,12E)-hexadeca-9,12-dienoyloxy]-3-[(8E,12E,16E)-octadeca-8,12,16-trienoyloxy]propoxyphosphinic acid
SMILES
CCC\C=C\C\C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCC\C=C\CC\C=C\CC\C=C\C)CO[P@](O)(=O)OCCN
Độ hòa tan
1.07e-04 g/l
logP
9.53
logS
-6.8
pKa (strongest acidic)
1.87
pKa (Strongest Basic)
10
PSA
134.38 Å2
Refractivity
205.79 m3·mol-1
Polarizability
84.63 Å3
Rotatable Bond Count
36
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
0
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading