(5-BROMO-4-CHLORO-3-INDOLYL)-A-D-MANNOSE
Thuốc Gốc
Small Molecule
CTHH: C14H15BrClNO6
PTK: 408.629
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H15BrClNO6
Phân tử khối
408.629
Monoisotopic mass
406.977127571
InChI
InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1
InChI Key
InChIKey=OPIFSICVWOWJMJ-HAAGFXOZSA-N
IUPAC Name
(2R,3S,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2R,3S,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
OC[C@H]1O[C@H](OC2=CNC3=C2C(Cl)=C(Br)C=C3)[C@@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
1.72e+00 g/l
logP
0.87
logS
-2.4
pKa (strongest acidic)
12.2
pKa (Strongest Basic)
-3
PSA
115.17 Å2
Refractivity
83.7 m3·mol-1
Polarizability
33.94 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading