ChemSpider 2D Image | O~3~-(2,6-Dihydroxy-6-methyl-2-{2-[(1-methylcyclopropyl)methoxy]-2-oxoethyl}heptanoyl)cephalotaxine | C33H45NO9

O3-(2,6-Dihydroxy-6-methyl-2-{2-[(1-methylcyclopropyl)methoxy]-2-oxoethyl}heptanoyl)cephalotaxine

  • Molecular FormulaC33H45NO9
  • Average mass599.712 Da
  • Monoisotopic mass599.309448 Da
  • ChemSpider ID8457644

More details:

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

Cephalotaxine, O3-[2,6-dihydroxy-6-methyl-2-[2-[(1-methylcyclopropyl)methoxy]-2-oxoethyl]-1-oxoheptyl]- [ACD/Index Name]
O3-(2,6-Dihydroxy-6-methyl-2-{2-[(1-methylcyclopropyl)methoxy]-2-oxoethyl}heptanoyl)cephalotaxin [German] [ACD/IUPAC Name]
O3-(2,6-Dihydroxy-6-methyl-2-{2-[(1-methylcyclopropyl)methoxy]-2-oxoethyl}heptanoyl)cephalotaxine [ACD/IUPAC Name]
O3-(2,6-Dihydroxy-6-méthyl-2-{2-[(1-méthylcyclopropyl)méthoxy]-2-oxoéthyl}heptanoyl)cephalotaxine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 744.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.2±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 26.75
ACD/KOC (pH 5.5): 194.28
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 224.38
ACD/KOC (pH 7.4): 1629.80
Polar Surface Area: 124 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 454.2±5.0 cm3

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