H TYPE II TRISACCHARIDE
Thuốc Gốc
Small Molecule
CTHH: C20H35NO15
PTK: 529.4896
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H35NO15
Phân tử khối
529.4896
Monoisotopic mass
529.200669455
InChI
InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-8(4-23)33-18(31)9(12(16)27)21-6(2)24/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
InChI Key
InChIKey=PHTAQVMXYWFMHF-QVPNGJTFSA-N
IUPAC Name
N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Traditional IUPAC Name
H type II trisaccharide
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O
Độ hòa tan
1.86e+02 g/l
logP
-5.7
logS
-0.45
pKa (strongest acidic)
11.44
pKa (Strongest Basic)
-3.5
PSA
257.32 Å2
Refractivity
110.31 m3·mol-1
Polarizability
50.15 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
15
H Bond Donor Count
10
Physiological Charge
0
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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