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Home > Encyclopedia > 2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine

2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine

2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine structure

2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine 

structure
  • CAS No:

    139680-61-8

  • Formula:

    C23H41N3O3S

  • Chemical Name:

    2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine

2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine Basic Attributes

439.65500

439.28686335

Characteristics

124.65000

5.96390

1.12g/cm3

645.7ºC at 760mmHg

344.3ºC

1.541

2.13E-19mmHg at 25°C

Drug Information

agelasidine D

Computed Properties

Molecular Weight:439.7
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:439.28686335
Monoisotopic Mass:439.28686335
Topological Polar Surface Area:127
Heavy Atom Count:30
Complexity:772
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine

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