ChemSpider 2D Image | (10S,15S)-13-[(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-25-methoxy-2,9-dioxa-13,16,21-triazatetracyclo[21.3.1.1~3,7~.0~10,15~]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione | C33H39N5O7

(10S,15S)-13-[(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-25-methoxy-2,9-dioxa-13,16,21-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione

  • Molecular FormulaC33H39N5O7
  • Average mass617.692 Da
  • Monoisotopic mass617.284973 Da
  • ChemSpider ID62733375

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-13-[(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-25-methoxy-2,9-dioxa-13,16,21-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaen-17,22-dion [German] [ACD/IUPAC Name]
(10S,15S)-13-[(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-25-methoxy-2,9-dioxa-13,16,21-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione [ACD/IUPAC Name]
(10S,15S)-13-[2-(4-Acétyl-3,5-diméthyl-1H-pyrazol-1-yl)acétyl]-25-méthoxy-2,9-dioxa-13,16,21-triazatétracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaène-17,22-dione [French] [ACD/IUPAC Name]
1H,19H-8,12:18,14-Dimethenopyrido[4,3-b][1,16,4,9]dioxadiazacyclodocosine-2,7-dione, 23-[2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,4,5,6,20a,21,22,23,24,24a-decahydro-10-methoxy-, (20aS,24aS) - [ACD/Index Name]
trans-23-[(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-10-methoxy-3,4,5,6,20a,21,22,23,24,24a-decahydro-1H-8,12:14,18-dimethenopyrido[4,3-b][1,16,4,9]dioxadiazacyclodocosine-2,7-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: 931.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 516.9±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 29.96
ACD/KOC (pH 5.5): 396.78
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 29.96
ACD/KOC (pH 7.4): 396.79
Polar Surface Area: 141 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 460.9±7.0 cm3

Click to predict properties on the Chemicalize site


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