ChemSpider 2D Image | (1-Methyl-3-piperidinyl)methyl (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetr acyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl malonate | C49H65N3O15

(1-Methyl-3-piperidinyl)methyl (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetr acyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl malonate

  • Molecular FormulaC49H65N3O15
  • Average mass936.052 Da
  • Monoisotopic mass935.441589 Da
  • ChemSpider ID58828244

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 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,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetr ;acyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl malonate [ACD/IUPAC Name]
(1-Methyl-3-piperidinyl)methyl-(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetr ;acyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl-malonat [German] [ACD/IUPAC Name]
113303-81-4 [RN]
Malonate de (1-méthyl-3-pipéridinyl)méthyle et de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-(4-morpholinyl)-6,23,27,29-tétraoxo-8, ;30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaén-13-yle [French] [ACD/IUPAC Name]
Propanedioic acid, (1-methyl-3-piperidinyl)methyl (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-1,2,6,9-tetrahydro-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(4-morpholinyl)-1,6 ,9,11-tetraoxo-2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-21-yl ester [ACD/Index Name]
CGP-4832

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

UNII:XUF8PWG90O [DBID]
XUF8PWG90O [DBID]
CGP 4832 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1049.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.8±3.0 kJ/mol
Flash Point: 588.3±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 241.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.01
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.93
Polar Surface Area: 237 Å2
Polarizability: 95.8±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 695.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement