Sulfo-PDBA-DM4

Modify Date: 2025-08-20 09:49:25

Sulfo-PDBA-DM4 Structure
Sulfo-PDBA-DM4 structure
Common Name Sulfo-PDBA-DM4
CAS Number 1461704-01-7 Molecular Weight 978.585
Density 1.4±0.1 g/cm3 Boiling Point N/A
Molecular Formula C42H60ClN3O15S3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-[(5-{[(2S)-1-{[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}-1-oxo-2-propanyl](methyl)amino}-2-methyl-5-oxo-2-pentanyl)disulfanyl]-2-sulfobutanoic acid (non-preferred name)

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Molecular Formula C42H60ClN3O15S3
Molecular Weight 978.585
Exact Mass 977.287476
LogP 5.24
Index of Refraction 1.619
InChIKey GQSPYHXXAXFCRB-DSIKUUPMSA-N
SMILES COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)CCC(C)(C)SSCCC(C(=O)O)S(=O)(=O)O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2
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