ChemSpider 2D Image | Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate | C31H29N2Na3O13S

Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate

  • Molecular FormulaC31H29N2Na3O13S
  • Average mass738.602 Da
  • Monoisotopic mass738.108337 Da
  • ChemSpider ID21171935

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,2'-({5-[3-(3-{[(Carboxylatométhyl)(carboxyméthyl)amino]méthyl}-4-hydroxy-5-méthylphényl)-2,2-dioxydo-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-méthylbenzyl}imino)diacétate de trisodium [French] [ACD/IUPAC Name]
222-805-8 [EINECS]
3618-43-7 [RN]
Trinatrium-2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetat [German] [ACD/IUPAC Name]
Trisodium 2,2'-({5-[3-(3-{[(carboxylatomethyl)(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-2,2-dioxido-3H-1,2-benzoxathiol-3-yl]-2-hydroxy-3-methylbenzyl}imino)diacetate [ACD/IUPAC Name]
tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bis[N-(carboxylatomethyl)aminoacetate] S,S-dioxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 215 Å2
Polarizability:
Surface Tension:
Molar Volume:

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