ChemSpider 2D Image | (2S,6S)-18-Methoxy-12-methyl-4-(2-propylpentanoyl)-20-oxa-1,4,9,12,23,24-hexaazatetracyclo[20.2.1.0~2,6~.0~14,19~]pentacosa-14,16,18,22(25),23-pentaene-8,13-dione | C28H40N6O5

(2S,6S)-18-Methoxy-12-methyl-4-(2-propylpentanoyl)-20-oxa-1,4,9,12,23,24-hexaazatetracyclo[20.2.1.02,6.014,19]pentacosa-14,16,18,22(25),23-pentaene-8,13-dione

  • Molecular FormulaC28H40N6O5
  • Average mass540.654 Da
  • Monoisotopic mass540.306030 Da
  • ChemSpider ID62730930

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6S)-18-Methoxy-12-methyl-4-(2-propylpentanoyl)-20-oxa-1,4,9,12,23,24-hexaazatetracyclo[20.2.1.02,6.014,19]pentacosa-14,16,18,22(25),23-pentaen-8,13-dion [German] [ACD/IUPAC Name]
(2S,6S)-18-Methoxy-12-methyl-4-(2-propylpentanoyl)-20-oxa-1,4,9,12,23,24-hexaazatetracyclo[20.2.1.02,6.014,19]pentacosa-14,16,18,22(25),23-pentaene-8,13-dione [ACD/IUPAC Name]
(2S,6S)-18-Méthoxy-12-méthyl-4-(2-propylpentanoyl)-20-oxa-1,4,9,12,23,24-hexaazatétracyclo[20.2.1.02,6.014,19]pentacosa-14,16,18,22(25),23-pentaène-8,13-dione [French] [ACD/IUPAC Name]
4,7-Metheno-8H-pyrrolo[3,4-g][1,4,5,6,11,14]benzoxapentaazacycloheptadecine-14,19-dione, 1,2,3,3a,15,16,17,18,20,20a-decahydro-10-methoxy-15-methyl-2-(1-oxo-2-propylpentyl)-, (3aS,20aS)- [ACD/Index Name]
rel-(3aS,20aS)-10-methoxy-15-methyl-2-(2-propylpentanoyl)-1,2,3,3a,15,16,17,18,20,20a-decahydro-4,7-methenopyrrolo[3,4-g][1,4,5,6,11,14]benzoxapentaazacycloheptadecine-14,19-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.11
ACD/KOC (pH 5.5): 276.68
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.11
ACD/KOC (pH 7.4): 276.68
Polar Surface Area: 119 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 416.4±7.0 cm3

Click to predict properties on the Chemicalize site


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