ChemSpider 2D Image | (10R,15S)-13-(3-Aminopropanoyl)-25-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.1~3,7~.0~10,15~]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione | C31H42N4O7

(10R,15S)-13-(3-Aminopropanoyl)-25-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID62721657

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-13-(3-Aminopropanoyl)-25-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10R,15S)-13-(3-Aminopropanoyl)-25-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione [ACD/IUPAC Name]
(10R,15S)-13-(3-Aminopropanoyl)-25-méthoxy-19-(3-méthoxypropyl)-2,9-dioxa-13,16,19-triazatétracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaène-17,20-dione [French] [ACD/IUPAC Name]
18H-8,11-Etheno-17,13-metheno-1H-pyrido[4,3-b][1,15,4,7]dioxadiazacycloheneicosine-2,5-dione, 22-(3-amino-1-oxopropyl)-3,4,6,7,19a,20,21,22,23,23a-decahydro-10-methoxy-4-(3-methoxypropyl)-, (19aR,23aS )- [ACD/Index Name]
cis-22-(3-aminopropanoyl)-25-methoxy-4-(3-methoxypropyl)-3,4,6,7,19a,20,21,22,23,23a-decahydro-1H-8,11-etheno-13,17-methenopyrido[4,3-b][1,15,4,7]dioxadiazacyclohenicosine-2,5-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 854.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 470.6±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 156.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 133 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 501.0±3.0 cm3

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