Tìm theo
Maltotetraose
Thuốc Gốc
Small Molecule
CAS: 34612-38-9
CTHH: C24H42O21
PTK: 666.5777
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H42O21
Phân tử khối
666.5777
Monoisotopic mass
666.221858406
InChI
InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20+,21+,22-,23-,24-/m0/s1
InChI Key
InChIKey=LUEWUZLMQUOBSB-OUBHKODOSA-N
IUPAC Name
(2S,3S,4R,5R,6S)-2-{[(2S,3S,4R,5R,6S)-6-{[(2S,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
maltotetraose
SMILES
OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O
Độ hòa tan
3.50e+02 g/l
logP
-8.2
logS
-0.28
pKa (strongest acidic)
11.19
pKa (Strongest Basic)
-3.7
PSA
347.83 Å2
Refractivity
133.16 m3·mol-1
Polarizability
62.2 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
21
H Bond Donor Count
14
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02237
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936329
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506588
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02052
ChemSpider
http://www.chemspider.com/Chemical-Structure.847.html
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