(2r,3r,4s,5r)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium
Thuốc Gốc
Small Molecule
CTHH: C8H16N2O4
PTK: 204.2236
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H16N2O4
Phân tử khối
204.2236
Monoisotopic mass
204.11100701
InChI
InChI=1S/C8H16N2O4/c1-4(12)10-8-7(14)6(13)5(3-11)2-9-8/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6-,7+,8-/m0/s1
InChI Key
InChIKey=IWVRQJNSUOIUFV-HSNKUXOKSA-N
IUPAC Name
N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamide
Traditional IUPAC Name
N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamide
SMILES
CC(=O)N[C@@H]1NC[C@@H](CO)[C@H](O)[C@H]1O
Độ hòa tan
5.61e+01 g/l
logP
-2.9
logS
-0.56
pKa (strongest acidic)
12.39
pKa (Strongest Basic)
7.25
PSA
101.82 Å2
Refractivity
47.63 m3·mol-1
Polarizability
20.65 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
5
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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