PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE
Thuốc Gốc
Small Molecule
CTHH: C12H15NO7S
PTK: 317.315
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
317.315
Monoisotopic mass
317.056922529
InChI
InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
InChI Key
InChIKey=IXFOBQXJWRLXMD-ZIQFBCGOSA-N
IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-nitrophenyl)sulfanyl]oxane-3,4,5-triol
Traditional IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-nitrophenyl)sulfanyl]oxane-3,4,5-triol
SMILES
[H][C@]1(CO)O[C@@]([H])(SC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
Độ hòa tan
1.30e+01 g/l
logP
-0.26
logS
-1.4
pKa (strongest acidic)
12.46
pKa (Strongest Basic)
-3
PSA
135.97 Å2
Refractivity
74.04 m3·mol-1
Polarizability
29.37 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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