ChemSpider 2D Image | (1S,2R,6R,7E,9E,11E,18R,19S,21S,26R,33S)-2-Hydroxy-20,34-dioxa-14,29-diazahexacyclo[24.6.2.2~18,21~.0~1,6~.0~14,19~.0~29,33~]hexatriaconta-3,7,9,11-tetraen-28-one | C32H46N2O4

(1S,2R,6R,7E,9E,11E,18R,19S,21S,26R,33S)-2-Hydroxy-20,34-dioxa-14,29-diazahexacyclo[24.6.2.218,21.01,6.014,19.029,33]hexatriaconta-3,7,9,11-tetraen-28-one

  • Molecular FormulaC32H46N2O4
  • Average mass522.719 Da
  • Monoisotopic mass522.345764 Da
  • ChemSpider ID8967452

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,6R,7E,9E,11E,18R,19S,21S,26R,33S)-2-Hydroxy-20,34-dioxa-14,29-diazahexacyclo[24.6.2.218,21.01,6.014,19.029,33]hexatriaconta-3,7,9,11-tetraen-28-on [German] [ACD/IUPAC Name]
(1S,2R,6R,7E,9E,11E,18R,19S,21S,26R,33S)-2-Hydroxy-20,34-dioxa-14,29-diazahexacyclo[24.6.2.218,21.01,6.014,19.029,33]hexatriaconta-3,7,9,11-tetraen-28-one [ACD/IUPAC Name]
(1S,2R,6R,7E,9E,11E,18R,19S,21S,26R,33S)-2-Hydroxy-20,34-dioxa-14,29-diazahexacyclo[24.6.2.218,21.01,6.014,19.029,33]hexatriaconta-3,7,9,11-tétraén-28-one [French] [ACD/IUPAC Name]
8aH-8,10:15,17-Diethano-5H,18H-dipyrido[2,1-j:3',2'-x][2,9,11]benzodioxaazacycloeicosin-32-one, 1,4,6,7,10,11,12,13,14,15,16a,17,19,20,22,28a-hexadecahydro-4-hydroxy-, (4R,4aS,8aS,10R,15S,16aS,17R,23E ,25E,27E,28aR)- [ACD/Index Name]
upenamide
'upenamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 355.02
ACD/KOC (pH 5.5): 1355.60
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2221.50
ACD/KOC (pH 7.4): 8482.46
Polar Surface Area: 62 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 435.4±5.0 cm3

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