Cellotetraose
Thuốc Gốc
Small Molecule
CAS: 38819-01-1
CTHH: C24H42O22
PTK: 682.5771
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
682.5771
Monoisotopic mass
682.216773028
InChI
InChI=1S/C24H42O22/c25-1-5-9(29)10(30)13(33)21(40-5)43-17-6(2-26)41-22(14(34)11(17)31)44-18-7(3-27)42-23(15(35)12(18)32)45-19-8(4-28)46-24(38,39)20(37)16(19)36/h5-23,25-39H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12+,13-,14+,15+,16-,17+,18+,19+,20+,21-,22-,23-/m0/s1
InChI Key
InChIKey=YQOYPGXRGJBUOY-FUTCZDBGSA-N
IUPAC Name
(3R,4R,5S,6S)-5-{[(2S,3R,4R,5S,6S)-5-{[(2S,3R,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,2,3,4-tetrol
Traditional IUPAC Name
cellotetraose
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(O)(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
3.72e+02 g/l
logP
-8.6
logS
-0.26
pKa (strongest acidic)
10.19
pKa (Strongest Basic)
-3.7
PSA
368.06 Å2
Refractivity
135.51 m3·mol-1
Polarizability
62.77 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
22
H Bond Donor Count
15
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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