Alpha-D-Glucose 1,6-Bisphosphate
Thuốc Gốc
Small Molecule
CAS: 10139-18-1
CTHH: C6H13O12P2
PTK: 339.1077
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H13O12P2
Phân tử khối
339.1077
Monoisotopic mass
338.988223904
InChI
InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6+/m0/s1
InChI Key
InChIKey=RWHOZGRAXYWRNX-MDMQIMBFSA-M
IUPAC Name
(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl hydrogen phosphate
Traditional IUPAC Name
(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl hydrogen phosphate
SMILES
O[C@@H]1[C@@H](O)[C@H](COP(O)(O)=O)O[C@H](O[P@@](O)([O-])=O)[C@H]1O
Độ hòa tan
2.33e+01 g/l
logP
-3.2
logS
-1.2
pKa (strongest acidic)
0.89
pKa (Strongest Basic)
-3.6
PSA
206.27 Å2
Refractivity
56.55 m3·mol-1
Polarizability
25.32 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
-4
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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