ChemSpider 2D Image | 2-{[(1R,7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5 ,28~]triaconta-2,4,9,19,21,23,25(29),26-octaen-13-yl]oxy}-2-oxoethyl (1-methyl-1,4-dihydro-3-pyridinyl)acetate | C49H65N3O15

2-{[(1R,7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05 ,28]triaconta-2,4,9,19,21,23,25(29),26-octaen-13-yl]oxy}-2-oxoethyl (1-methyl-1,4-dihydro-3-pyridinyl)acetate

  • Molecular FormulaC49H65N3O15
  • Average mass936.052 Da
  • Monoisotopic mass935.441589 Da
  • ChemSpider ID64873347

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1-Méthyl-1,4-dihydro-3-pyridinyl)acétate de 2-{[(1R,7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E)-2,15,17,23,27,29-hexahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-(4-morpholinyl)-6-oxo- ;8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-2,4,9,19,21,23,25(29),26-octaén-13-yl]oxy}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[(1R,7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05 ,28]triaconta-2,4,9,19,21,23,25(29),26-octaen-13-yl]oxy}-2-oxoethyl (1-methyl-1,4-dihydro-3-pyridinyl)acetate [ACD/IUPAC Name]
2-{[(1R,7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,23E)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05 ,28]triaconta-2,4,9,19,21,23,25(29),26-octaen-13-yl]oxy}-2-oxoethyl-(1-methyl-1,4-dihydro-3-pyridinyl)acetat [German] [ACD/IUPAC Name]
3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, 2-oxo-2-[[(2S,5aR,10E,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24Z)-1,2,5a,9a-tetrahydro-5,6,9,11,17,19-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptameth yl-8-(4-morpholinyl)-1-oxo-2,7-(epoxy[1,11,13]pentadecatrien[1]yl[15]ylidenenitrilo)naphtho[2,1-b]furan-21-yl]oxy]ethyl ester [ACD/Index Name]
RIFAMYCIN CGP 4832

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1000.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.4±6.0 kJ/mol
Flash Point: 558.8±37.1 °C
Index of Refraction: 1.614
Molar Refractivity: 238.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 35.32
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 247 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


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