5-(6-D-Ribitylamino-2,4-Dihydroxypyrimidin-5-Yl)-1-Pentyl-Phosphonic Acid
Thuốc Gốc
Small Molecule
CTHH: C14H26N3O9P
PTK: 411.3447
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H26N3O9P
Phân tử khối
411.3447
Monoisotopic mass
411.140665957
InChI
InChI=1S/C14H26N3O9P/c18-7-10(20)11(21)9(19)6-15-12-8(13(22)17-14(23)16-12)4-2-1-3-5-27(24,25)26/h9-11,18-21H,1-7H2,(H2,24,25,26)(H3,15,16,17,22,23)/t9-,10+,11+/m0/s1
InChI Key
InChIKey=BMATWAHJJFXMFA-HBNTYKKESA-N
IUPAC Name
[5-(2,4-dihydroxy-6-{[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]amino}pyrimidin-5-yl)pentyl]phosphonic acid
Traditional IUPAC Name
5-(2,4-dihydroxy-6-{[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]amino}pyrimidin-5-yl)pentylphosphonic acid
SMILES
OC[C@@H](O)[C@H](O)[C@@H](O)CNC1=NC(O)=NC(O)=C1CCCCCP(O)(O)=O
Độ hòa tan
3.14e+00 g/l
logP
-1.6
logS
-2.1
pKa (strongest acidic)
1.81
pKa (Strongest Basic)
-0.27
PSA
216.72 Å2
Refractivity
96.05 m3·mol-1
Polarizability
39.4 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
12
H Bond Donor Count
9
Physiological Charge
-1
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading