Found 372 results

Search term: MF = 'C_{31}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | (3S,6R)-20-Acetyl-4-(2-methylbenzyl)-14,17-dioxa-1,4,7,20,27-pentaazatetracyclo[20.2.2.1~3,6~.1~9,13~]octacosa-9(27),10,12-triene-2,8-dione | C31H41N5O5

(3S,6R)-20-Acetyl-4-(2-methylbenzyl)-14,17-dioxa-1,4,7,20,27-pentaazatetracyclo[20.2.2.13,6.19,13]octacosa-9(27),10,12-triene-2,8-dione

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID84488927

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6R)-20-Acetyl-4-(2-methylbenzyl)-14,17-dioxa-1,4,7,20,27-pentaazatetracyclo[20.2.2.13,6.19,13]octacosa-9(27),10,12-trien-2,8-dion [German] [ACD/IUPAC Name]
(3S,6R)-20-Acetyl-4-(2-methylbenzyl)-14,17-dioxa-1,4,7,20,27-pentaazatetracyclo[20.2.2.13,6.19,13]octacosa-9(27),10,12-triene-2,8-dione [ACD/IUPAC Name]
(3S,6R)-20-Acétyl-4-(2-méthylbenzyl)-14,17-dioxa-1,4,7,20,27-pentaazatétracyclo[20.2.2.13,6.19,13]octacosa-9(27),10,12-triène-2,8-dione [French] [ACD/IUPAC Name]
14,17-Dioxa-1,4,7,20,27-pentaazatetracyclo[20.2.2.13,6.19,13]octacosa-9,11,13(27)-triene-2,8-dione, 20-acetyl-4-[(2-methylphenyl)methyl]-, (3S,6R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 827.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 454.0±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.18
Polar Surface Area: 104 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 441.1±5.0 cm3

Click to predict properties on the Chemicalize site


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