2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone
Thuốc Gốc
Small Molecule
CAS: 19026-22-3
CTHH: C8H13NO6
PTK: 219.1919
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H13NO6
Phân tử khối
219.1919
Monoisotopic mass
219.074287153
InChI
InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1
InChI Key
InChIKey=NELQYZRSPDCGRQ-DBRKOABJSA-N
IUPAC Name
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxooxan-3-yl]acetamide
Traditional IUPAC Name
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxooxan-3-yl]acetamide
SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O
Độ hòa tan
2.33e+02 g/l
logP
-3
logS
0.03
pKa (strongest acidic)
11.6
pKa (Strongest Basic)
-1.3
PSA
116.09 Å2
Refractivity
45.88 m3·mol-1
Polarizability
20.29 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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