Tìm theo
2-(Acetylamino)-2-Deoxy-a-D-Glucopyranose
Thuốc Gốc
Small Molecule
CTHH: C8H15NO6
PTK: 221.2078
The N-acetyl derivative of glucosamine. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H15NO6
Phân tử khối
221.2078
Monoisotopic mass
221.089937217
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
InChI Key
InChIKey=OVRNDRQMDRJTHS-JAJWTYFOSA-N
IUPAC Name
N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Traditional IUPAC Name
N-acetyl-D-allosamine
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
Độ hòa tan
2.54e+02 g/l
logP
-3.2
logS
0.06
pKa (strongest acidic)
11.6
pKa (Strongest Basic)
-0.78
PSA
119.25 Å2
Refractivity
47.02 m3·mol-1
Polarizability
21.04 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
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