Found 106 results

Search term: MF = 'C_{31}H_{35}N_{5}O_{7}'
ChemSpider 2D Image | (10S,15S)-19-Ethyl-13-[(6-hydroxy-2-pyrazinyl)carbonyl]-23-isopropoxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.1~3,7~.0~10,15~]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione | C31H35N5O7

(10S,15S)-19-Ethyl-13-[(6-hydroxy-2-pyrazinyl)carbonyl]-23-isopropoxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione

  • Molecular FormulaC31H35N5O7
  • Average mass589.639 Da
  • Monoisotopic mass589.253662 Da
  • ChemSpider ID62730965

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-19-Ethyl-13-[(6-hydroxy-2-pyrazinyl)carbonyl]-23-isopropoxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10S,15S)-19-Ethyl-13-[(6-hydroxy-2-pyrazinyl)carbonyl]-23-isopropoxy-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione [ACD/IUPAC Name]
(10S,15S)-19-Éthyl-13-[(6-hydroxy-2-pyrazinyl)carbonyl]-23-isopropoxy-2,9-dioxa-13,16,19-triazatétracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaène-17,20-dione [French] [ACD/IUPAC Name]
1H,17H-10,6:16,12-Dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloeicosine-2,5-dione, 4-ethyl-3,4,18a,19,20,21,22,22a-octahydro-21-[(6-hydroxy-2-pyrazinyl)carbonyl]-8-(1-methylethoxy)-, (18aS,22aS)- [ACD/Index Name]
trans-4-ethyl-21-[(6-hydroxypyrazin-2-yl)carbonyl]-8-isopropoxy-3,4,18a,19,20,21,22,22a-octahydro-1H-6,10:12,16-dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloicosine-2,5-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: 912.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 505.4±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.62
ACD/KOC (pH 5.5): 144.21
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 30.90
Polar Surface Area: 143 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 470.0±3.0 cm3

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