Tìm theo
(6s)-5,6,7,8-Tetrahydrofolate
Thuốc Gốc
Small Molecule
CAS: 135-16-0
CTHH: C19H23N7O6
PTK: 445.4292
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H23N7O6
Phân tử khối
445.4292
Monoisotopic mass
445.170981503
InChI
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m1/s1
InChI Key
InChIKey=MSTNYGQPCMXVAQ-VXGBXAGGSA-N
IUPAC Name
(2R)-2-{[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
Traditional IUPAC Name
(2R)-2-{[4-({[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
SMILES
NC1=NC2=C(N[C@H](CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
Độ hòa tan
2.88e-01 g/l
logP
-3.2
logS
-3.2
pKa (strongest acidic)
3.2
pKa (Strongest Basic)
4.62
PSA
207.27 Å2
Refractivity
121.59 m3·mol-1
Polarizability
43.98 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
11
H Bond Donor Count
8
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02031
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936291
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508587
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00101
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