Tìm theo
Sphingosine
Thuốc Gốc
Small Molecule
CAS: 123-78-4
CTHH: C18H37NO2
PTK: 299.4919
An amino alcohol with a long unsaturated hydrocarbon chain. Sphingosine and its derivative sphinganine are the major bases of the sphingolipids in mammals. (Dorland, 28th ed)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H37NO2
Phân tử khối
299.4919
Monoisotopic mass
299.282429433
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14-/t17-,18+/m1/s1
InChI Key
InChIKey=WWUZIQQURGPMPG-BXDGKWANSA-N
IUPAC Name
(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol
Traditional IUPAC Name
sphingosine
SMILES
[H][C@@](N)(CO)[C@@]([H])(O)\C=C/CCCCCCCCCCCCC
Độ tan chảy
67 °C
Độ hòa tan
3.90e-03 g/l
logP
4.57
logS
-4.9
pKa (strongest acidic)
14.12
pKa (Strongest Basic)
9.23
PSA
66.48 Å2
Refractivity
91.89 m3·mol-1
Polarizability
39.36 Å3
Rotatable Bond Count
15
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03203
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5326412
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505156
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00319
ChemSpider
http://www.chemspider.com/Chemical-Structure.4483874.html
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