2-Deazo-6-Thiophosphate Guanosine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H15N4O10P2S
PTK: 445.259
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N4O10P2S
Phân tử khối
445.259
Monoisotopic mass
444.998411434
InChI
InChI=1S/C10H14N4O10P2S/c15-6-4(1-23-25(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27-26(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/p+1/t4-,6-,7+,10+/m1/s1
InChI Key
InChIKey=NYBPOGVUIOPXHI-KMPDEGCQSA-O
IUPAC Name
9-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-(phosphonosulfanyl)-9H-purin-1-ium
Traditional IUPAC Name
9-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-(phosphonosulfanyl)purin-1-ium
SMILES
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@H]([C@H]1O)N1C=NC2=C1N=C[NH+]=C2SP(O)(O)=O
Độ hòa tan
2.78e+00 g/l
logP
-5.1
logS
-2.2
pKa (strongest acidic)
0.88
pKa (Strongest Basic)
4.68
PSA
218.83 Å2
Refractivity
86.2 m3·mol-1
Polarizability
36.51 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
11
H Bond Donor Count
7
Physiological Charge
-4
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading