ChemSpider 2D Image | 2-Methyl-2-propanyl (1R,5S,21S,24R)-24-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-triene-7-carboxylate | C29H40N6O7

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

  • Molecular FormulaC29H40N6O7
  • Average mass584.664 Da
  • Monoisotopic mass584.295837 Da
  • ChemSpider ID65259833

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,5S,21S,24R)-24-[4-(Méthoxyméthyl)-1H-1,2,3-triazol-1-yl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triène-7-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
14,18-Epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecine-2-carboxylic acid, 1,3,4,12,13,14,15,16,17,18,19,20,21,21a-tetradecahydro-17-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-6,21-dioxo- , 1,1-dimethylethyl ester, (14S,17R,18R,21aS)- [ACD/Index Name]
2-Methyl-2-propanyl (1R,5S,21S,24R)-24-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-7-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1R,5S,21S,24R)-24-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-7-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 115.79
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 115.79
Polar Surface Area: 137 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 422.1±7.0 cm3

Click to predict properties on the Chemicalize site


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