(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (
Thuốc Gốc
Small Molecule
CTHH: C40H75O10P
PTK: 746.9913
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C40H75O10P
Phân tử khối
746.9913
Monoisotopic mass
746.509785132
InChI
InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1
InChI Key
InChIKey=QGIXWNRQEFVVRM-CTDKCSBDSA-N
IUPAC Name
[(2R)-2,3-dihydroxypropoxy][(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphinic acid
Traditional IUPAC Name
(2R)-2,3-dihydroxypropoxy(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxyphosphinic acid
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC
Độ hòa tan
1.05e-04 g/l
logP
11.1
logS
-6.8
pKa (strongest acidic)
1.89
pKa (Strongest Basic)
-3
PSA
148.82 Å2
Refractivity
206.74 m3·mol-1
Polarizability
89.88 Å3
Rotatable Bond Count
40
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-1
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