Alpha-D-Glucose-1-Phosphate-6-Vanadate
Thuốc Gốc
Small Molecule
CTHH: C6H13O12PV
PTK: 359.0755
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H13O12PV
Phân tử khối
359.0755
Monoisotopic mass
358.958426067
InChI
InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6+;;;;/m0..../s1
InChI Key
InChIKey=SYRDAPWACIANBN-DPXSRCRQSA-M
IUPAC Name
{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl]methoxy}vanadiumoylol
Traditional IUPAC Name
{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl]methoxy}vanadiumoylol
SMILES
O[C@@H]1[C@@H](O)[C@H](CO[V](O)(=O)=O)O[C@H](OP(O)(O)=O)[C@H]1O
Độ hòa tan
9.16e+00 g/l
logP
-4.1
logS
-1.6
pKa (strongest acidic)
1.16
pKa (Strongest Basic)
-3.6
PSA
200.28 Å2
Refractivity
51.03 m3·mol-1
Polarizability
26.24 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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