MONOGALACTOSYL-DIACYLGLYCEROL
Thuốc Gốc
Small Molecule
CTHH: C38H72O10
PTK: 688.9723
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C38H72O10
Phân tử khối
688.9723
Monoisotopic mass
688.512548524
InChI
InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1
InChI Key
InChIKey=FIJGNIAJTZSERN-DQQGJSMTSA-N
IUPAC Name
(2S)-1-(tridecanoyloxy)-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl hexadecanoate
Traditional IUPAC Name
(2S)-1-(tridecanoyloxy)-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl hexadecanoate
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)COC(=O)CCCCCCCCCCCC
Độ hòa tan
9.05e-04 g/l
logP
8.9
logS
-5.9
pKa (strongest acidic)
12.21
pKa (Strongest Basic)
-3
PSA
151.98 Å2
Refractivity
186.31 m3·mol-1
Polarizability
84.14 Å3
Rotatable Bond Count
34
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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