Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester
Thuốc Gốc
Small Molecule
CTHH: C9H15NO10S2
PTK: 361.346
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H15NO10S2
Phân tử khối
361.346
Monoisotopic mass
361.013737085
InChI
InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7-,9-/m0/s1
InChI Key
InChIKey=GGOAQSGCBDRTHT-AZRUVXNYSA-N
IUPAC Name
[(1S,2R,6S,9S)-11,11-dimethyl-4,4-dioxo-3,5,8,10,12-pentaoxa-4$l^{6}-thiatricyclo[7.3.0.0^{2,6}]dodecan-9-yl]methyl sulfamate
Traditional IUPAC Name
[(1S,2R,6S,9S)-11,11-dimethyl-4,4-dioxo-3,5,8,10,12-pentaoxa-4$l^{6}-thiatricyclo[7.3.0.0^{2,6}]dodecan-9-yl]methyl sulfamate
SMILES
CC1(C)O[C@H]2[C@H]3OS(=O)(=O)O[C@H]3CO[C@@]2(COS(N)(=O)=O)O1
Độ hòa tan
1.01e+01 g/l
logP
-0.62
logS
-1.6
pKa (strongest acidic)
11.09
pKa (Strongest Basic)
-4
PSA
149.68 Å2
Refractivity
66.31 m3·mol-1
Polarizability
30.73 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
8
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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