Tìm theo
4-Deoxy-D-Mannuronic Acid
Thuốc Gốc
Small Molecule
CTHH: C6H8O6
PTK: 176.1241
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
176.1241
Monoisotopic mass
176.032087988
InChI
InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6-/m1/s1
InChI Key
InChIKey=IAKKJSVSFCTLRY-CJPQEGFPSA-N
IUPAC Name
(2R,3S,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Traditional IUPAC Name
4-deoxy-D-mannuronic acid
SMILES
O[C@@H]1OC(=C[C@@H](O)[C@@H]1O)C(O)=O
Độ hòa tan
2.08e+02 g/l
logP
-1.9
logS
0.07
pKa (strongest acidic)
3.3
pKa (Strongest Basic)
-3.5
PSA
107.22 Å2
Refractivity
36.15 m3·mol-1
Polarizability
14.75 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
... loading
... loading