79548-73-5
PIRLIMYCIN
Name
PIRLIMYCIN
Formula
C17 H31 Cl N2 O5 S
MolWeight
410.96
1Identification
【Name】
PIRLIMYCIN
【CAS】
【MDL】
MFCD00864968
【English Synonyms】
【Formula】
C17 H31 Cl N2 O5 S
【MolWeight】
410.96
【Inchi】
InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11-,12-,13+,14+,15+,17+/m0/s1
【InChIKey】
InChIKey=HBJOXQRURQPDEX-WWBPHHLOSA-N
【SMILES】
CC[C@@H]1CCN[C@@H](C1)C(=O)N[C@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
PIRLIMYCIN.cml
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