8,9,10-Trihydroxy-7-Hydroxymethyl-3-Methyl-6-Oxa-1,3-Diaza-Spiro[4.5]Decane-2,4-Dione
Thuốc Gốc
Small Molecule
CTHH: C9H14N2O7
PTK: 262.2167
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H14N2O7
Phân tử khối
262.2167
Monoisotopic mass
262.080100812
InChI
InChI=1S/C9H14N2O7/c1-11-7(16)9(10-8(11)17)6(15)5(14)4(13)3(2-12)18-9/h3-6,12-15H,2H2,1H3,(H,10,17)/t3-,4-,5+,6-,9-/m1/s1
InChI Key
InChIKey=RIUIMUSXAGXXON-QMGFNSACSA-N
IUPAC Name
(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-3-methyl-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
Traditional IUPAC Name
(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-3-methyl-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILES
CN1C(=O)N[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
Độ hòa tan
3.34e+02 g/l
logP
-3.1
logS
0.11
pKa (strongest acidic)
9.73
pKa (Strongest Basic)
-3
PSA
139.56 Å2
Refractivity
53.86 m3·mol-1
Polarizability
23.45 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
7
H Bond Donor Count
5
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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