Tìm theo
(1s,6s,7r,8r,8ar)-1,6,7,8-Tetrahydroxyindolizidine
Thuốc Gốc
Small Molecule
CAS: 79831-76-8
CTHH: C8H15NO4
PTK: 189.209
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H15NO4
Phân tử khối
189.209
Monoisotopic mass
189.100107973
InChI
InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7+,8+/m0/s1
InChI Key
InChIKey=JDVVGAQPNNXQDW-QYYLWSOASA-N
IUPAC Name
(1S,6S,7R,8R,8aS)-octahydroindolizine-1,6,7,8-tetrol
Traditional IUPAC Name
(1S,6S,7R,8R,8aS)-octahydroindolizine-1,6,7,8-tetrol
SMILES
O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]12
Độ hòa tan
1.11e+03 g/l
logP
-2.6
logS
0.77
pKa (strongest acidic)
12.89
pKa (Strongest Basic)
8.96
PSA
84.16 Å2
Refractivity
44.44 m3·mol-1
Polarizability
18.68 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01816
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11063191
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507978
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02256
ChemSpider
http://www.chemspider.com/Chemical-Structure.2494.html
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