ChemSpider 2D Image | 2,2'-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene(methylimino)]}diacetic acid | C29H32N2O9S

2,2'-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene(methylimino)]}diacetic acid

  • Molecular FormulaC29H32N2O9S
  • Average mass584.637 Da
  • Monoisotopic mass584.182861 Da
  • ChemSpider ID150083

More details:

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

2,2'-{(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylen)methylen(methylimino)]}diessigsäure [German] [ACD/IUPAC Name]
2,2'-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene(methylimino)]}diacetic acid [ACD/IUPAC Name]
65720-39-0 [RN]
Acide 2,2'-{(1,1-dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-méthyl-3,1-phénylène)méthylène(méthylimino)]}diacétique [French] [ACD/IUPAC Name]
[({5-[3-(3-{[(CARBOXYMETHYL)(METHYL)AMINO]METHYL}-4-HYDROXY-5-METHYLPHENYL)-1,1-DIOXO-2,1??-BENZOXATHIOL-3-YL]-2-HYDROXY-3-METHYLPHENYL}METHYL)(METHYL)AMINO]ACETIC ACID
265-894-9 [EINECS]
GLYCINE CRESOL RED
N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bis(N-methylglycine) S,S-dioxide
sarcosine cresol red

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

Density: 1.4±0.1 g/cm3
Boiling Point: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 407.8±3.0 cm3

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