Tìm theo
1-Deoxy-1-Methoxycarbamido-Beta-D-Glucopyranose
Thuốc Gốc
Small Molecule
CTHH: C8H15NO7
PTK: 237.2072
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H15NO7
Phân tử khối
237.2072
Monoisotopic mass
237.084851839
InChI
InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m0/s1
InChI Key
InChIKey=IZZJOGWXTFEDLL-ZYNSJIGGSA-N
IUPAC Name
methyl N-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
Traditional IUPAC Name
methyl N-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
SMILES
COC(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
2.99e+02 g/l
logP
-2.6
logS
0.1
pKa (strongest acidic)
12.22
pKa (Strongest Basic)
-3
PSA
128.48 Å2
Refractivity
48.65 m3·mol-1
Polarizability
21.95 Å3
Rotatable Bond Count
3
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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