Tìm theo
4-Nitrophenyl-Ara
Thuốc Gốc
Small Molecule
CTHH: C11H13NO7
PTK: 271.2234
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
271.2234
Monoisotopic mass
271.069201775
InChI
InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1
InChI Key
InChIKey=DUYYBTBDYZXISX-UKKRHICBSA-N
IUPAC Name
(2S,3R,4R,5S)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
Traditional IUPAC Name
4-nitrophenyl-ara
SMILES
[H][C@@]1(CO)O[C@@]([H])(OC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]1([H])O
Độ hòa tan
1.58e+01 g/l
logP
-0.028
logS
-1.2
pKa (strongest acidic)
12.26
pKa (Strongest Basic)
-3
PSA
124.97 Å2
Refractivity
61.55 m3·mol-1
Polarizability
24.67 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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