2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose
Thuốc Gốc
Small Molecule
CTHH: C8H12N2O4
PTK: 200.1919
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H12N2O4
Phân tử khối
200.1919
Monoisotopic mass
200.079706882
InChI
InChI=1S/C8H12N2O4/c1-9-8-10-4-6(13)5(12)3(2-11)7(4)14-8/h3-7,11-13H,1-2H2/t3-,4+,5-,6-,7-/m0/s1
InChI Key
InChIKey=YJMIXNAZGREWGZ-REQIZBSHSA-N
IUPAC Name
(3aR,4S,5S,6S,6aS)-6-(hydroxymethyl)-2-(methylideneamino)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,3]oxazole-4,5-diol
Traditional IUPAC Name
(3aR,4S,5S,6S,6aS)-6-(hydroxymethyl)-2-(methylideneamino)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,3]oxazole-4,5-diol
SMILES
OC[C@H]1[C@H](O)[C@@H](O)[C@H]2N=C(O[C@@H]12)N=C
Độ hòa tan
1.18e+01 g/l
logP
-2.1
logS
-1.2
pKa (strongest acidic)
13.12
pKa (Strongest Basic)
2.66
PSA
94.64 Å2
Refractivity
44.95 m3·mol-1
Polarizability
18.91 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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