Tìm theo
S-Atrolactic Acid
Các tên gọi khác (3) :
  • (S)-2-Hydroxy-2-Phenylpropionic Acid
  • (S)-alpha-Methylmandelic acid
  • 2-PHENYL-LACTIC ACID
Thuốc Gốc
Small Molecule
CTHH: C9H10O3
PTK: 166.1739
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H10O3
Phân tử khối
166.1739
Monoisotopic mass
166.062994186
InChI
InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1
InChI Key
InChIKey=NWCHELUCVWSRRS-VIFPVBQESA-N
IUPAC Name
(2S)-2-hydroxy-2-phenylpropanoic acid
Traditional IUPAC Name
(S)-α-methylmandelic acid
SMILES
C[C@@](O)(C(O)=O)C1=CC=CC=C1
Độ hòa tan
1.97e+01 g/l
logP
1.33
logS
-0.93
pKa (strongest acidic)
3.81
pKa (Strongest Basic)
-4.2
PSA
57.53 Å2
Refractivity
43.42 m3·mol-1
Polarizability
16.54 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB07381
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=445144
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443852
ChemSpider
http://www.chemspider.com/Chemical-Structure.392870.html
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