ChemSpider 2D Image | (4E,8S,9S,10E,12S,13R,14S,16R)-19-{(E)-[2-(Dimethylamino)ethylidene]amino}-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl hyd rogen carbonohydrazonate | C32H49N5O8

(4E,8S,9S,10E,12S,13R,14S,16R)-19-{(E)-[2-(Dimethylamino)ethylidene]amino}-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl hyd rogen carbonohydrazonate

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID34890996

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4E,8S,9S,10E,12S,13R,14S,16R)-19-{(E)-[2-(Dimethylamino)ethyliden]amino}-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-ylhydro gencarbonohydrazonat [German] [ACD/IUPAC Name]
(4E,8S,9S,10E,12S,13R,14S,16R)-19-{(E)-[2-(Dimethylamino)ethylidene]amino}-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl hyd rogen carbonohydrazonate [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-3-one, 19-[[(1E)-2-(dimethylamino)ethylidene]amino]-9-[[(E)-hydrazinylidenehydroxymethyl]oxy]-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetrame thyl-, (4E,8S,9S,10E,12S,13R,14S,16R)- [ACD/Index Name]
Hydrogénocarbonohydrazonate de (4E,8S,9S,10E,12S,13R,14S,16R)-19-{(E)-[2-(diméthylamino)éthylidène]amino}-13,20,22-trihydroxy-8,14-diméthoxy-4,10,12,16-tétraméthyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(2 2),4,6,10,18,20-hexaén-9-yle [French] [ACD/IUPAC Name]
CHEMBL380815

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 12.82
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 53.56
ACD/KOC (pH 7.4): 489.32
Polar Surface Area: 192 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 510.2±7.0 cm3

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