Cytosine Arabinose-5'-Phosphate
Thuốc Gốc
Small Molecule
CTHH: C9H14N3O8P
PTK: 323.1965
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
323.1965
Monoisotopic mass
323.051850951
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8+/m0/s1
InChI Key
InChIKey=IERHLVCPSMICTF-ZAKLUEHWSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O
Độ hòa tan
1.63e+01 g/l
logP
-3.3
logS
-1.3
pKa (strongest acidic)
1.23
pKa (Strongest Basic)
-0.62
PSA
175.14 Å2
Refractivity
65.42 m3·mol-1
Polarizability
27.03 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading