Found 2 results

Search term: MF = 'C_{30}H_{25}NO_{12}S'
ChemSpider 2D Image | 2-[2,6-Dihydroxy-4-({3-(4-hydroxyphenoxy)-2-[(phenylsulfonyl)amino]propoxy}carbonyl)benzoyl]-3-hydroxybenzoic acid | C30H25NO12S

2-[2,6-Dihydroxy-4-({3-(4-hydroxyphenoxy)-2-[(phenylsulfonyl)amino]propoxy}carbonyl)benzoyl]-3-hydroxybenzoic acid

  • Molecular FormulaC30H25NO12S
  • Average mass623.584 Da
  • Monoisotopic mass623.109741 Da
  • ChemSpider ID4485124

More details:

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

2-[2,6-Dihydroxy-4-({3-(4-hydroxyphenoxy)-2-[(phenylsulfonyl)amino]propoxy}carbonyl)benzoyl]-3-hydroxybenzoesäure [German] [ACD/IUPAC Name]
2-[2,6-Dihydroxy-4-({3-(4-hydroxyphenoxy)-2-[(phenylsulfonyl)amino]propoxy}carbonyl)benzoyl]-3-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 2-[2,6-dihydroxy-4-({3-(4-hydroxyphénoxy)-2-[(phénylsulfonyl)amino]propoxy}carbonyl)benzoyl]-3-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, 1-[3-(4-hydroxyphenoxy)-2-[(phenylsulfonyl)amino]propyl] ester [ACD/Index Name]
4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid 2-benzenesulfonylamino-3-(4-hydroxy-phenoxy)-propyl ester
Acyclic Balanol Analog 26b

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

Density: 1.5±0.1 g/cm3
Boiling Point: 941.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 523.3±37.1 °C
Index of Refraction: 1.670
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 24.04
ACD/KOC (pH 5.5): 61.54
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 225 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 408.5±3.0 cm3

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