H TYPE I TRISACCHARIDE
Thuốc Gốc
Small Molecule
CTHH: C20H37NO15
PTK: 531.5055
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H37NO15
Phân tử khối
531.5055
Monoisotopic mass
531.216319519
InChI
InChI=1S/C20H37NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-9(21-6(2)24)18(31)33-8(4-23)12(16)27/h5-31H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
InChI Key
InChIKey=XWHQMQWQSYEMJS-WLZYAXAUSA-N
IUPAC Name
(2S,3S,4R,5S,6S)-2-{[(2R,3R,4S,5R,6R)-2-{[(2R,3R,4R,5S,6R)-2,5-dihydroxy-3-{[(1S)-1-hydroxyethyl]amino}-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
Traditional IUPAC Name
H type I trisaccharide
SMILES
C[C@H](O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
2.68e+02 g/l
logP
-5.5
logS
-0.3
pKa (strongest acidic)
11.57
pKa (Strongest Basic)
7.22
PSA
260.48 Å2
Refractivity
111.58 m3·mol-1
Polarizability
51.09 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
16
H Bond Donor Count
11
Physiological Charge
1
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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