Tìm theo
Sulfatide
Các tên gọi khác (1) :
  • SULFOGALACTOCERAMIDE
Thuốc Gốc
Small Molecule
CTHH: C48H93NO12S
PTK: 908.317
Any of a class of cerebroside sulfuric esters, they are found largely in the medullated nerve fibers and may accumulate in metachromatic leukodystrophy.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C48H93NO12S
Phân tử khối
908.317
Monoisotopic mass
907.641848135
InChI
InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1
InChI Key
InChIKey=QTTLKKFUOJQIRB-JOLIRYOJSA-N
IUPAC Name
[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-[(2R)-2-hydroxytetracosanamido]octadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
Traditional IUPAC Name
sulfatide
SMILES
CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC
Độ hòa tan
5.99e-04 g/l
logP
10.09
logS
-6.2
pKa (strongest acidic)
-1.8
pKa (Strongest Basic)
-3
PSA
212.31 Å2
Refractivity
246.48 m3·mol-1
Polarizability
112.8 Å3
Rotatable Bond Count
43
H Bond Acceptor Count
11
H Bond Donor Count
7
Physiological Charge
-1
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04780
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5459389
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506937
Wikipedia
http://en.wikipedia.org/wiki/Sulfatide
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