ChemSpider 2D Image | CGP-4832 | C49H65N3O15

CGP-4832

  • Molecular FormulaC49H65N3O15
  • Average mass936.052 Da
  • Monoisotopic mass935.441589 Da
  • ChemSpider ID65322885

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(1-Methyl-3-piperidinyl)methyl (7S,9E,11S,13S,14R,15R,16R,19Z,21Z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3. ;1.14,7.05,28]triaconta-1(28),2,4,9,19,21,23,25-octaen-13-yl malonate [ACD/IUPAC Name]
(1-Methyl-3-piperidinyl)methyl-(7S,9E,11S,13S,14R,15R,16R,19Z,21Z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3. ;1.14,7.05,28]triaconta-1(28),2,4,9,19,21,23,25-octaen-13-yl-malonat [German] [ACD/IUPAC Name]
CGP-4832
Malonate de (1-méthyl-3-pipéridinyl)méthyle et de (7S,9E,11S,13S,14R,15R,16R,19Z,21Z)-2,15,17,23-tétrahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-(4-morpholinyl)-6,27,29-trioxo-8,30-dioxa-24- ;azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,23,25-octaén-13-yle [French] [ACD/IUPAC Name]
Propanedioic acid, (1-methyl-3-piperidinyl)methyl (2S,12Z,14Z,18R,19R,20R,21S,23S,24E)-1,2,6,9-tetrahydro-5,11,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(4-morpholinyl)-1,6,9-trio xo-2,7-(epoxy[1,11,13]pentadecatrien[1]yl[15]ylidenenitrilo)naphtho[2,1-b]furan-21-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1028.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.5±3.0 kJ/mol
Flash Point: 576.0±37.1 °C
Index of Refraction: 1.614
Molar Refractivity: 238.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 240 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 685.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement