2-(Acetylamino)-2-Deoxy-4-O-Sulfo-Alpha-D-Galactopyranose
Thuốc Gốc
Small Molecule
CTHH: C8H15NO9S
PTK: 301.271
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H15NO9S
Phân tử khối
301.271
Monoisotopic mass
301.046751773
InChI
InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
InChI Key
InChIKey=WHCJUIFHMJFEFZ-FMDGEEDCSA-N
IUPAC Name
[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid
Traditional IUPAC Name
[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@@H]1O
Độ hòa tan
4.29e+01 g/l
logP
-5
logS
-0.85
pKa (strongest acidic)
-1.9
pKa (Strongest Basic)
-0.75
PSA
162.62 Å2
Refractivity
57.02 m3·mol-1
Polarizability
26.09 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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