(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE
Thuốc Gốc
Small Molecule
CTHH: C17H19NO4P
PTK: 332.3108
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H19NO4P
Phân tử khối
332.3108
Monoisotopic mass
332.105169613
InChI
InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m1/s1
InChI Key
InChIKey=YPTMOJMDCPUCJT-CYBMUJFWSA-M
IUPAC Name
(R)-((1R)-1-phenylethyl [(4-acetamidophenyl)methyl]phosphonate)
Traditional IUPAC Name
(R)-((1R)-1-phenylethyl (4-acetamidophenyl)methylphosphonate)
SMILES
[H][C@](C)(O[P@]([O-])(=O)CC1=CC=C(NC(C)=O)C=C1)C1=CC=CC=C1
Độ hòa tan
5.69e-02 g/l
logP
2.56
logS
-3.8
pKa (strongest acidic)
1.89
pKa (Strongest Basic)
-4.4
PSA
78.46 Å2
Refractivity
89.17 m3·mol-1
Polarizability
33.51 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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