ChemSpider 2D Image | (1R,5S,21S,24R)-7-(1,3-Benzodioxol-5-ylmethyl)-24-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-triene-4,11-dione | C32H38N6O7

(1R,5S,21S,24R)-7-(1,3-Benzodioxol-5-ylmethyl)-24-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione

  • Molecular FormulaC32H38N6O7
  • Average mass618.680 Da
  • Monoisotopic mass618.280212 Da
  • ChemSpider ID65259558

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,5S,21S,24R)-7-(1,3-Benzodioxol-5-ylmethyl)-24-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-4,11-dion [German] [ACD/IUPAC Name]
(1R,5S,21S,24R)-7-(1,3-Benzodioxol-5-ylmethyl)-24-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione [ACD/IUPAC Name]
(1R,5S,21S,24R)-7-(1,3-Benzodioxol-5-ylméthyl)-24-[4-(méthoxyméthyl)-1H-1,2,3-triazol-1-yl]-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triène-4,11-dione [French] [ACD/IUPAC Name]
14,18-Epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecine-6,21(12H)-dione, 2-(1,3-benzodioxol-5-ylmethyl)-1,3,4,13,14,15,16,17,18,19,20,21a-dodecahydro-17-[4-(methoxymethyl)-1H-1,2,3-triaz ol-1-yl]-, (14S,17R,18R,21aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 161.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.53
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.75
ACD/KOC (pH 7.4): 118.73
Polar Surface Area: 130 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 419.6±7.0 cm3

Click to predict properties on the Chemicalize site


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