ChemSpider 2D Image | 5-(13,24,25-Trihydroxy-1-methoxy-5,9,23-trimethyl-2,20,22-trioxahexacyclo[19.3.1.0~3,19~.0~5,17~.0~6,14~.0~9,13~]pentacos-17-en-10-yl)-2H-pyran-2-one | C31H42O9

5-(13,24,25-Trihydroxy-1-methoxy-5,9,23-trimethyl-2,20,22-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-en-10-yl)-2H-pyran-2-one

  • Molecular FormulaC31H42O9
  • Average mass558.660 Da
  • Monoisotopic mass558.282898 Da
  • ChemSpider ID355923

More details:

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

2H-Pyran-2-one, 5-(2,3,3a,3b,4,5,6a,11,12,13a,14,14a,14b,15,16,16a-hexadecahydro-3a,11,17-trihydroxy-12-methoxy-10,14a,16a-trimethyl-8,12-methano-1H,10H-cyclopenta[7,8]phenanthro[2,3-d][1,3,6]trioxoni n-1-yl)- [ACD/Index Name]
5-(13,24,25-Trihydroxy-1-methoxy-5,9,23-trimethyl-2,20,22-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-en-10-yl)-2H-pyran-2-on [German] [ACD/IUPAC Name]
5-(13,24,25-Trihydroxy-1-methoxy-5,9,23-trimethyl-2,20,22-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-en-10-yl)-2H-pyran-2-one [ACD/IUPAC Name]
5-(13,24,25-Trihydroxy-1-méthoxy-5,9,23-triméthyl-2,20,22-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-én-10-yl)-2H-pyran-2-one [French] [ACD/IUPAC Name]

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

NCI60_039849 [DBID]
NSC715408 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 747.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 242.3±26.4 °C
Index of Refraction: 1.621
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 744.20
ACD/KOC (pH 5.5): 3955.10
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 744.18
ACD/KOC (pH 7.4): 3954.99
Polar Surface Area: 124 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 409.1±5.0 cm3

Click to predict properties on the Chemicalize site


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