6-Aminohexyl-Uridine-C1,5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C15H27N3O12P2
PTK: 503.3353
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H27N3O12P2
Phân tử khối
503.3353
Monoisotopic mass
503.106996367
InChI
InChI=1S/C15H27N3O12P2/c16-6-3-1-2-4-8-27-31(23,24)30-32(25,26)28-9-10-12(20)13(21)14(29-10)18-7-5-11(19)17-15(18)22/h5,7,10,12-14,20-21H,1-4,6,8-9,16H2,(H,23,24)(H,25,26)(H,17,19,22)/t10-,12-,13+,14+/m0/s1
InChI Key
InChIKey=MLWJBKPFDKRHBM-SCUASFONSA-N
IUPAC Name
[(6-aminohexyl)oxy][({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
Traditional IUPAC Name
(6-aminohexyl)oxy({[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid
SMILES
NCCCCCCO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=CC(=O)NC1=O
Độ hòa tan
6.51e+00 g/l
logP
-3.1
logS
-1.9
pKa (strongest acidic)
1.87
pKa (Strongest Basic)
10.32
PSA
227.41 Å2
Refractivity
105.46 m3·mol-1
Polarizability
44.32 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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