2,3-Di-O-Sulfo-Alpha-D-Glucopyranose
Thuốc Gốc
Small Molecule
CTHH: C6H12O12S2
PTK: 340.282
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H12O12S2
Phân tử khối
340.282
Monoisotopic mass
339.977017228
InChI
InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4-,5-,6-/m0/s1
InChI Key
InChIKey=ORUZACWROKWTRH-RUTHBDMASA-N
IUPAC Name
[(2S,3S,4S,5S,6S)-2,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid
Traditional IUPAC Name
[(2S,3S,4S,5S,6S)-2,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid
SMILES
OC[C@@H]1O[C@H](O)[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H]1O
Độ hòa tan
1.03e+01 g/l
logP
-6.8
logS
-1.5
pKa (strongest acidic)
-2.6
pKa (Strongest Basic)
-3
PSA
197.12 Å2
Refractivity
55.91 m3·mol-1
Polarizability
26.75 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
10
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading