Found 1 result

Search term: 78442780 (Found by CSID)
ChemSpider 2D Image | (3aR,6S,6aR,7E,10S,12R,13R,15aR)-6,12,13-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10-trimethyl-3,3a,6,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione | C29H36N2O5

(3aR,6S,6aR,7E,10S,12R,13R,15aR)-6,12,13-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10-trimethyl-3,3a,6,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione

  • Molecular FormulaC29H36N2O5
  • Average mass492.607 Da
  • Monoisotopic mass492.262421 Da
  • ChemSpider ID78442780

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3aR,6S,6aR,7E,10S,12R,13R,15aR)-6,12,13-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10-trimethyl-3,3a,6,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindol-1,15(2H)-dion [German] [ACD/IUPAC Name]
(3aR,6S,6aR,7E,10S,12R,13R,15aR)-6,12,13-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10-trimethyl-3,3a,6,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione [ACD/IUPAC Name]
(3aR,6S,6aR,7E,10S,12R,13R,15aR)-6,12,13-Trihydroxy-3-(1H-indol-3-ylméthyl)-4,5,10-triméthyl-3,3a,6,6a,9,10,11,12,13,14-décahydro-1H-cycloundéca[d]isoindole-1,15(2H)-dione [French] [ACD/IUPAC Name]
1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,6,6a,9,10,11,12,13,14-decahydro-6,12,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10-trimethyl-, (3aR,6S,6aR,7E,10S,12R,13R,15aR)- [ACD/Index Name]
cytochalasin Y

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

Density: 1.3±0.1 g/cm3
Boiling Point: 783.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 427.9±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.31
ACD/KOC (pH 5.5): 810.74
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.31
ACD/KOC (pH 7.4): 810.74
Polar Surface Area: 123 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

Click to predict properties on the Chemicalize site


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