Orotidine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H13N2O11P
PTK: 368.1908
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13N2O11P
Phân tử khối
368.1908
Monoisotopic mass
368.02569578
InChI
InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7+,8+/m0/s1
InChI Key
InChIKey=KYOBSHFOBAOFBF-ZAKLUEHWSA-N
IUPAC Name
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Traditional IUPAC Name
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-1H-pyrimidine-4-carboxylic acid
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O
Độ hòa tan
8.61e+00 g/l
logP
-2.9
logS
-1.6
pKa (strongest acidic)
1.21
pKa (Strongest Basic)
-3.7
PSA
203.16 Å2
Refractivity
70.74 m3·mol-1
Polarizability
29.37 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
-3
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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