Tìm theo
Dihydro-Acarbose
Thuốc Gốc
Small Molecule
CTHH: C25H45NO18
PTK: 647.6207
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C25H45NO18
Phân tử khối
647.6207
Monoisotopic mass
647.263663641
InChI
InChI=1S/C25H45NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h6-39H,2-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+/m1/s1
InChI Key
InChIKey=CUAQESWNTOXZJZ-OCVIJKKMSA-N
IUPAC Name
(2R,3R,4R,5S,6S)-5-{[(2S,3R,4R,5S,6S)-5-{[(2S,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,2R,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol
Traditional IUPAC Name
dihydro-acarbose
SMILES
C[C@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@@H]3[C@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
1.87e+02 g/l
logP
-7.6
logS
-0.54
pKa (strongest acidic)
11.23
pKa (Strongest Basic)
7.88
PSA
321.17 Å2
Refractivity
137.04 m3·mol-1
Polarizability
62.3 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
19
H Bond Donor Count
14
Physiological Charge
1
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04226
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936925
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506996
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