Found 216 results

Search term: MF = 'C_{30}H_{39}N_{3}O_{7}'
ChemSpider 2D Image | (10S,15S)-19-Ethyl-23-isopropoxy-13-(3-methoxypropanoyl)-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 | C30H39N3O7

(10S,15S)-19-Ethyl-23-isopropoxy-13-(3-methoxypropanoyl)-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 FormulaC30H39N3O7
  • Average mass553.647 Da
  • Monoisotopic mass553.278809 Da
  • ChemSpider ID62722466

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-19-Ethyl-23-isopropoxy-13-(3-methoxypropanoyl)-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-23-isopropoxy-13-(3-methoxypropanoyl)-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-23-isopropoxy-13-(3-méthoxypropanoyl)-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-6,10:12,16-Dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloeicosine-2,5-dione, 4-ethyl-3,4,18a,19,20,21,22,22a-octahydro-21-(3-methoxy-1-oxopropyl)-8-(1-methylethoxy)-, (18aS,22aS)- [ACD/Index Name]
trans-4-ethyl-8-isopropoxy-21-(3-methoxypropanoyl)-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: 1.2±0.1 g/cm3
Boiling Point: 790.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.7±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.20
ACD/KOC (pH 5.5): 299.21
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.20
ACD/KOC (pH 7.4): 299.21
Polar Surface Area: 107 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 478.8±3.0 cm3

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