Tìm theo
(R)-Mandelic Acid
Thuốc Gốc
Small Molecule
CAS: 611-71-2
CTHH: C8H8O3
PTK: 152.1473
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H8O3
Phân tử khối
152.1473
Monoisotopic mass
152.047344122
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
InChI Key
InChIKey=IWYDHOAUDWTVEP-ZETCQYMHSA-N
IUPAC Name
(2S)-2-hydroxy-2-phenylacetic acid
Traditional IUPAC Name
(R)-mandelic acid
SMILES
O[C@H](C(O)=O)C1=CC=CC=C1
Độ tan chảy
119 °C
Độ hòa tan
1.1E+005 mg/L (at 25 °C)
logP
0.9
logS
-0.96
pKa (strongest acidic)
3.75
pKa (Strongest Basic)
-4.1
PSA
57.53 Å2
Refractivity
38.7 m3·mol-1
Polarizability
14.66 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
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02280
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=439616
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506374
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01983
ChemSpider
http://www.chemspider.com/Chemical-Structure.1253.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16421
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