ChemSpider 2D Image | 5-(Methylamino)-2-({3,9,11-trimethyl-8-[1-oxo-1-(1H-pyrrol-2-yl)-2-propanyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid | C29H37N3O6

5-(Methylamino)-2-({3,9,11-trimethyl-8-[1-oxo-1-(1H-pyrrol-2-yl)-2-propanyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid

  • Molecular FormulaC29H37N3O6
  • Average mass523.621 Da
  • Monoisotopic mass523.268250 Da
  • ChemSpider ID1883

More details:

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

258-084-1 [EINECS]
4-Benzoxazolecarboxylic acid, 5-(methylamino)-2-[[3,9,11-trimethyl-8-[1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]- [ACD/Index Name]
5-(Methylamino)-2-({3,9,11-trimethyl-8-[1-oxo-1-(1H-pyrrol-2-yl)-2-propanyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(Methylamino)-2-({3,9,11-trimethyl-8-[1-oxo-1-(1H-pyrrol-2-yl)-2-propanyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid [ACD/IUPAC Name]
52665-69-7 [RN]
Acide 5-(méthylamino)-2-({3,9,11-triméthyl-8-[1-oxo-1-(1H-pyrrol-2-yl)-2-propanyl]-1,7-dioxaspiro[5.5]undéc-2-yl}méthyl)-1,3-benzoxazole-4-carboxylique [French] [ACD/IUPAC Name]
2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
204014-48-2 [RN]
5-(METHYLAMINO)-2-({3,9,11-TRIMETHYL-8-[1-OXO-1-(1H-PYRROL-2-YL)PROPAN-2-YL]-1,7-DIOXASPIRO[5.5]UNDEC-2-YL}METHYL)-1,3-BENZOXAZOLE-4-CARBOXYLIC ACID
Calcium Ionophore A23187
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C11309 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.4±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 29.59
ACD/KOC (pH 5.5): 76.56
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 26.90
ACD/KOC (pH 7.4): 69.60
Polar Surface Area: 127 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 406.9±5.0 cm3

Click to predict properties on the Chemicalize site


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