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Home > Encyclopedia > 2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid

2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid

2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid structure

2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid 

structure
  • CAS No:

    124433-73-4

  • Formula:

    C14H13N5O10

  • Chemical Name:

    2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid

2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid Basic Attributes

411.28100

411.06624163 g/mol

Characteristics

202.34000

-3.44200

1.87g/cm3

666.7ºC at 760mmHg

357ºC

1.743

1.67E-19mmHg at 25°C

Drug Information

1,1'-dimethylpurpurate-3,3'-diacetic acid

Computed Properties

Molecular Weight:411.28
XLogP3:-2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:411.06624163
Monoisotopic Mass:411.06624163
Topological Polar Surface Area:202
Heavy Atom Count:29
Complexity:909
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid

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