ChemSpider 2D Image | (2S)-2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-5-methoxy-5-oxopentanoic acid (non-preferred name) | C24H25NO10

(2S)-2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-5-methoxy-5-oxopentanoic acid (non-preferred name)

  • Molecular FormulaC24H25NO10
  • Average mass487.456 Da
  • Monoisotopic mass487.147858 Da
  • ChemSpider ID34890614

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-yliden]ethyl}amino)-5-methoxy-5-oxopentansäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-5-methoxy-5-oxopentanoic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S)-2-({(1E)-1-[(9bR)-6-acétyl-7,9-dihydroxy-8,9b-diméthyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidène]éthyl}amino)-5-méthoxy-5-oxopentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[(1E)-1-[(9bR)-6-acetyl-3,9b-dihydro-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-2(1H)-dibenzofuranylidene]ethyl]-, 5-methyl ester [ACD/Index Name]
CHEMBL514108
Usimine A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 779.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.5±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 2.93
ACD/KOC (pH 5.5): 27.77
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 327.2±5.0 cm3

Click to predict properties on the Chemicalize site


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