12656-40-5
ALTHIOMYCIN
Name
ALTHIOMYCIN
Formula
C16 H17 N5 O6 S2
MolWeight
439.471
1Identification
【Name】
ALTHIOMYCIN
【CAS】
【MDL】
MFCD01681520
【English Synonyms】
【Formula】
C16 H17 N5 O6 S2
【MolWeight】
439.471
【Inchi】
InChI=1S/C16H17N5O6S2/c1-27-8-2-13(23)21(4-8)16(25)11-7-29-15(20-11)9(5-22)19-14(24)10-6-28-12(18-10)3-17-26/h2-3,6,9,11,22,26H,4-5,7H2,1H3,(H,19,24)/b17-3+
【InChIKey】
InChIKey=VQQNQKXWJMRPHT-IJUHEHPCSA-N
【SMILES】
COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)c3csc(n3)/C=N/O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALTHIOMYCIN.cml
Quick Release
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