Compound C46H64N6O8

bis(diethyl-[2-(15-oxo-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-13-yl)ethyl]azanium);(2R,3R)-2,3-dihydroxybutanedioate

CAS: 67767-01-5

Molecular Formula	`C46H64N6O8`
Molecular Weight	829.0 g/mol
Topological Polar Surface Area	195.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	11
Exact Mass	828.4786
Heavy Atoms	60
Complexity	817.0

Chemical Identifiers

CAS Number	67767-01-5
SMILES	`CC[NH+](CC)CCC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4.CC[NH+](CC)CCC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4.C(C(C(=O)[O-])O)(C(=O)[O-])O`
InChIKey	`XJPCDHCGIUXILD-CEAXSRTFSA-N`

📖 Product Overview

Compound C46H64N6O8 (CAS: 67767-01-5) is a chemical compound with molecular formula C46H64N6O8 and molecular weight 829.0 g/mol. Its IUPAC systematic name is bis(diethyl-[2-(15-oxo-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-13-yl)ethyl]azanium);(2R,3R)-2,3-dihydroxybutanedioate. Topological Polar Surface Area 195.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 11 Exact Mass 828.4786 Heavy Atoms 60 Complexity 817.0 InChI Key: XJPCDHCGIUXILD-CEAXSRTFSA-N. SMILES: CC[NH+](CC)CCC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4.CC[NH+](CC)CCC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4.C(C(C(=O)[O-])O)(C(=O)[O-])O.

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