Digalactosyl Diacyl Glycerol (Dgdg)
Thuốc Gốc
Small Molecule
CTHH: C51H96O15
PTK: 949.2989
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C51H96O15
Phân tử khối
949.2989
Monoisotopic mass
948.674922402
InChI
InChI=1S/C51H96O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h39-41,44-52,55-60H,3-38H2,1-2H3/t39-,40-,41-,44-,45-,46+,47+,48-,49-,50-,51-/m0/s1
InChI Key
InChIKey=LDQFLSUQYHBXSX-QFTMNUCUSA-N
IUPAC Name
(2R)-1-(octadecanoyloxy)-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl octadecanoate
Traditional IUPAC Name
(2R)-1-(octadecanoyloxy)-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl octadecanoate
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@H]1O[C@@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCCC
Độ hòa tan
2.08e-03 g/l
logP
10.24
logS
-5.7
pKa (strongest acidic)
11.91
pKa (Strongest Basic)
-3
PSA
231.13 Å2
Refractivity
250.93 m3·mol-1
Polarizability
115.54 Å3
Rotatable Bond Count
44
H Bond Acceptor Count
13
H Bond Donor Count
7
Physiological Charge
0
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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