1-Deoxy-1-Methoxycarbamido-Beta-D-Gluco-2-Heptulopyranosonamide
Thuốc Gốc
Small Molecule
CTHH: C9H16N2O8
PTK: 280.2319
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H16N2O8
Phân tử khối
280.2319
Monoisotopic mass
280.090665498
InChI
InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m0/s1
InChI Key
InChIKey=ZQTAMPRAONLFQI-HYMLEYLXSA-N
IUPAC Name
methyl N-[(2R,3S,4R,5R,6S)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
Traditional IUPAC Name
methyl N-[(2R,3S,4R,5R,6S)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
SMILES
COC(=O)N[C@]1(O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(N)=O
Độ hòa tan
1.29e+02 g/l
logP
-3.4
logS
-0.34
pKa (strongest acidic)
11.95
pKa (Strongest Basic)
-3
PSA
171.57 Å2
Refractivity
56.81 m3·mol-1
Polarizability
24.82 Å3
Rotatable Bond Count
4
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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