ChemSpider 2D Image | (6R,8S,9S,10E,12S,13R,14S,16R)-6,13,22-Trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18-tetraen-9-yl carbamate | C29H42N2O11

(6R,8S,9S,10E,12S,13R,14S,16R)-6,13,22-Trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18-tetraen-9-yl carbamate

  • Molecular FormulaC29H42N2O11
  • Average mass594.651 Da
  • Monoisotopic mass594.278870 Da
  • ChemSpider ID78440628

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6R,8S,9S,10E,12S,13R,14S,16R)-6,13,22-Trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18-tetraen-9-yl carbamate [ACD/IUPAC Name]
(6R,8S,9S,10E,12S,13R,14S,16R)-6,13,22-Trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18-tetraen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1(22),4,10,18-tetraene-3,20,21-trione, 9-[(aminocarbonyl)oxy]-6,13,22-trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-, (6R,8S,9S,10E,12S,13R,14S,16R)- [ACD/Index Name]
Carbamate de (6R,8S,9S,10E,12S,13R,14S,16R)-6,13,22-trihydroxy-8,14,19-triméthoxy-4,10,12,16-tétraméthyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18-tétraén-9-yle [French] [ACD/IUPAC Name]
Geldanamycin D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 799.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.4±6.0 kJ/mol
Flash Point: 437.3±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.93
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 456.0±5.0 cm3

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