15301-82-3
PECOCYCLINE
Name
PECOCYCLINE
Formula
C29 H35 N3 O10
MolWeight
585.607
1Identification
【Name】
PECOCYCLINE
【CAS】
【MDL】
MFCD00864999
【English Synonyms】
【Formula】
C29 H35 N3 O10
【MolWeight】
585.607
【Inchi】
InChI=1S/C29H35N3O10/c1-28(41)14-7-4-8-17(33)18(14)22(34)19-15(28)10-16-21(31(2)3)23(35)20(25(37)29(16,42)24(19)36)26(38)30-12-32-9-5-6-13(11-32)27(39)40/h4,7-8,13,15-16,21,33,35-36,41-42H,5-6,9-12H2,1-3H3,(H,30,38)(H,39,40)/t13?,15-,16-,21-,28+,29-/m0/s1
【InChIKey】
InChIKey=LYOHRYSQMOWAQT-OSCKIKFWSA-N
【SMILES】
C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)NCN5CCCC(C5)C(=O)O)O)N(C)C)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:13
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PECOCYCLINE.cml
Quick Release
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