Tìm theo
N-(phosphonacetyl)-L-aspartic acid
Thuốc Gốc
Small Molecule
CAS: 51321-79-0
CTHH: C6H10NO8P
PTK: 255.1193
N-(phosphonacetyl)-L-aspartic acid is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. This substance is known to target aspartate carbamoyltransferase catalytic chain and CAD protein.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H10NO8P
Phân tử khối
255.1193
Monoisotopic mass
255.014402813
InChI
InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m1/s1
InChI Key
InChIKey=ZZKNRXZVGOYGJT-GSVOUGTGSA-N
IUPAC Name
(2R)-2-(2-phosphonoacetamido)butanedioic acid
Traditional IUPAC Name
(2R)-2-(2-phosphonoacetamido)butanedioic acid
SMILES
OC(=O)C[C@@H](NC(=O)CP(O)(O)=O)C(O)=O
Độ hòa tan
6.73e+00 g/l
logP
-2.7
logS
-1.6
pKa (strongest acidic)
1.65
PSA
161.23 Å2
Refractivity
46.97 m3·mol-1
Polarizability
19.74 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
-3
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03459
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936683
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507931
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