ChemSpider 2D Image | reblastatin | C29H44N2O8

reblastatin

  • Molecular FormulaC29H44N2O8
  • Average mass548.668 Da
  • Monoisotopic mass548.309753 Da
  • ChemSpider ID65322824

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(8S,9S,10E,13R,14S)-3,13,20-Trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(22),2,4,10,18,20-hexaen-9-yl hydrogen carbonimidate [ACD/IUPAC Name]
(8S,9S,10E,13R,14S)-3,13,20-Trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(22),2,4,10,18,20-hexaen-9-ylhydrogenkohlenstoffimidat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1(22),2,4,10,18,20-hexaene-3,13,20-triol, 9-(hydroxyiminomethoxy)-8,14,19-trimethoxy-4,10,12,16-tetramethyl-, (8S,9S,10E,13R,14S)- [ACD/Index Name]
Hydrogénocarbonimidate de (8S,9S,10E,13R,14S)-3,13,20-trihydroxy-8,14,19-triméthoxy-4,10,12,16-tétraméthyl-2-azabicyclo[16.3.1]docosa-1(22),2,4,10,18,20-hexaén-9-yle [French] [ACD/IUPAC Name]
reblastatin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.5±35.7 °C
Index of Refraction: 1.549
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.82
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.68
Polar Surface Area: 154 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 452.2±7.0 cm3

Click to predict properties on the Chemicalize site


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