ChemSpider 2D Image | Methyl (8E)-15-(5-amino-2-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-7-(carbamoyloxy)-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethyl-2,4,8-pentadecatrienoate | C30H44N2O10

Methyl (8E)-15-(5-amino-2-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-7-(carbamoyloxy)-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethyl-2,4,8-pentadecatrienoate

  • Molecular FormulaC30H44N2O10
  • Average mass592.678 Da
  • Monoisotopic mass592.299622 Da
  • ChemSpider ID4513173

  • Double-bond stereo - Double-bond stereo

More details:

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

(8E)-15-(5-Amino-2-méthoxy-3,6-dioxo-1,4-cyclohexadién-1-yl)-7-(carbamoyloxy)-11-hydroxy-6,12-diméthoxy-2,8,10,14-tétraméthyl-2,4,8-pentadécatriénoate de méthyle [French] [ACD/IUPAC Name]
2,4,8-Pentadecatrienoic acid, 7-[(aminocarbonyl)oxy]-15-(5-amino-2-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethyl-, methyl ester, (8E)- [ACD/Index Name]
Methyl (8E)-15-(5-amino-2-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-7-(carbamoyloxy)-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethyl-2,4,8-pentadecatrienoate [ACD/IUPAC Name]
Methyl-(8E)-15-(5-amino-2-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-7-(carbamoyloxy)-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethyl-2,4,8-pentadecatrienoat [German] [ACD/IUPAC Name]
30674-68-1 [RN]
Methyl geldanamycinate

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

NSC212519 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 787.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 430.3±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.55
ACD/KOC (pH 5.5): 889.46
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.55
ACD/KOC (pH 7.4): 889.47
Polar Surface Area: 187 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 491.2±5.0 cm3

Click to predict properties on the Chemicalize site


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