75899-14-8
(S)-2-AMINO-4-((((2S,3S,4R,5S)-5-(7-AMINO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL)THIO)BUTANOIC ACID
Name(S)-2-AMINO-4-((((2S,3S,4R,5S)-5-(7-AMINO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL)THIO)BUTANOIC ACID
1Identification
【Name】
(S)-2-AMINO-4-((((2S,3S,4R,5S)-5-(7-AMINO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL)THIO)BUTANOIC ACID
【CAS】
【MDL】
MFCD01684631
【English Synonyms】
【Formula】
C14 H20 N6 O5 S
【MolWeight】
384.415
【Inchi】
InChI=1S/C14H20N6O5S/c15-5(14(23)24)1-2-26-3-6-10(21)11(22)12(25-6)8-7-9(20-19-8)13(16)18-4-17-7/h4-6,10-12,21-22H,1-3,15H2,(H,19,20)(H,23,24)(H2,16,17,18)/t5-,6+,10+,11+,12-/m0/s1
【InChIKey】
InChIKey=IRJBTFARPMCXJX-ZIPCMVOOSA-N
【SMILES】
c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O
【MOL File】
(S)-2-AMINO-4-((((2S….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:11
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-2-AMINO-4-((((2S,3S,4R,5S)-5-(7-AMINO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL)THIO)BUTANOIC ACID.cml