Tìm theo
2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid
herbicides
Thuốc Gốc
Small Molecule
CAS: 51276-47-2
CTHH: C5H12NO4P
PTK: 181.1268
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C5H12NO4P
Phân tử khối
181.1268
Monoisotopic mass
181.050394389
InChI
InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1
InChI Key
InChIKey=IAJOBQBIJHVGMQ-SCSAIBSYSA-N
IUPAC Name
(2R)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
Traditional IUPAC Name
(2R)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILES
C[P@@](O)(=O)CC[C@@H](N)C(O)=O
Độ tan chảy
230 dec °C
Độ hòa tan
4.63e+01 g/l
logP
-3.8
logS
-0.59
pKa (strongest acidic)
1.86
pKa (Strongest Basic)
9.53
PSA
100.62 Å2
Refractivity
39.66 m3·mol-1
Polarizability
16.03 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02663
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6971307
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506119
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C05042
ChemSpider
http://www.chemspider.com/Chemical-Structure.4630.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220010
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