Found 1 result

Search term: 155428 (Found by CSID)
ChemSpider 2D Image | 18-sec-Butyl-24-(1-hydroxyethyl)-9-(hydroxymethyl)-12,21-diisobutyl-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonon e | C48H85N7O13

18-sec-Butyl-24-(1-hydroxyethyl)-9-(hydroxymethyl)-12,21-diisobutyl-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonon e

  • Molecular FormulaC48H85N7O13
  • Average mass968.228 Da
  • Monoisotopic mass967.620544 Da
  • ChemSpider ID155428

More details:

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

1,7-Dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone, 24-(1-hydroxyethyl)-9-(hydroxymethyl)-3,4,13,16,19,25-hexamethyl-6,15,27-tris(1-methylethyl)-18-(1-methylpropyl)- 12,21-bis(2-methylpropyl)- [ACD/Index Name]
18-sec-Butyl-24-(1-hydroxyethyl)-9-(hydroxymethyl)-12,21-diisobutyl-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosan-2,5,8,11,14,17,20,23,26-nonon [German] [ACD/IUPAC Name]
18-sec-Butyl-24-(1-hydroxyethyl)-9-(hydroxymethyl)-12,21-diisobutyl-6,15,27-triisopropyl-3,4,13,16,19,25-hexamethyl-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonon e [ACD/IUPAC Name]
18-sec-Butyl-24-(1-hydroxyéthyl)-9-(hydroxyméthyl)-12,21-diisobutyl-6,15,27-triisopropyl-3,4,13,16,19,25-hexaméthyl-1,7-dioxa-4,10,13,16,19,22,25-heptaazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonon e [French] [ACD/IUPAC Name]
140715-94-2 [RN]
BZR-cotoxin I

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1145.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.9±6.0 kJ/mol
Flash Point: 646.6±34.3 °C
Index of Refraction: 1.468
Molar Refractivity: 254.4±0.3 cm3
#H bond acceptors: 20
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 70.61
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.69
ACD/KOC (pH 7.4): 70.61
Polar Surface Area: 253 Å2
Polarizability: 100.8±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 915.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement