1-Deoxy-1-Acetylamino-Beta-D-Gluco-2-Heptulopyranosonamide
Thuốc Gốc
Small Molecule
CTHH: C9H16N2O7
PTK: 264.2325
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H16N2O7
Phân tử khối
264.2325
Monoisotopic mass
264.095750876
InChI
InChI=1S/C9H16N2O7/c1-3(13)11-9(8(10)17)7(16)6(15)5(14)4(2-12)18-9/h4-7,12,14-16H,2H2,1H3,(H2,10,17)(H,11,13)/t4-,5-,6+,7-,9-/m0/s1
InChI Key
InChIKey=BUPVODXECQDZQR-MNDKRXPHSA-N
IUPAC Name
(2S,3S,4R,5R,6S)-2-acetamido-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
Traditional IUPAC Name
(2S,3S,4R,5R,6S)-2-acetamido-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
SMILES
CC(=O)N[C@@]1(O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(N)=O
Độ hòa tan
1.38e+02 g/l
logP
-4
logS
-0.28
pKa (strongest acidic)
10.98
pKa (Strongest Basic)
-2
PSA
162.34 Å2
Refractivity
55.19 m3·mol-1
Polarizability
23.74 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
7
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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