1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycerol
Thuốc Gốc
Small Molecule
CTHH: C43H88O3
PTK: 653.157
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C43H88O3
Phân tử khối
653.157
Monoisotopic mass
652.673346682
InChI
InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38+,39-,40-,41+,42+,43-/m0/s1
InChI Key
InChIKey=ISDBCJSGCHUHFI-FOLKXJRZSA-N
IUPAC Name
(2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7S,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol
Traditional IUPAC Name
(2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7S,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol
SMILES
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C
Độ hòa tan
6.11e-06 g/l
logP
15.06
logS
-8
pKa (strongest acidic)
14.6
pKa (Strongest Basic)
-3
PSA
38.69 Å2
Refractivity
204.58 m3·mol-1
Polarizability
88.78 Å3
Rotatable Bond Count
34
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
0
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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