ChemSpider 2D Image | Bortezomib pinanediol | C29H39BN4O4

Bortezomib pinanediol

  • Molecular FormulaC29H39BN4O4
  • Average mass518.455 Da
  • Monoisotopic mass518.306458 Da
  • ChemSpider ID17348758

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

205393-22-2 [RN]
2-Pyrazinecarboxamide, N-[(1S)-2-[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]- [ACD/Index Name]
Bortezomib pinanediol
Bortezomib Pinanediol Ester
N-{(1R)-3-Methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]butyl}-Nα-(2-pyrazinylcarbonyl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(1R)-3-Methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]butyl}-Nα-(2-pyrazinylcarbonyl)-L-phenylalaninamide [ACD/IUPAC Name]
N-{(1R)-3-Méthyl-1-[(1S,2S,6R,8S)-2,9,9-triméthyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]déc-4-yl]butyl}-Nα-(2-pyrazinylcarbonyl)-L-phénylalaninamide [French] [ACD/IUPAC Name]
(1R)-(1S,2S,3R,5S)-Pinanediol-N-(N-pyrazinylphenylalaninoyl)-1-amino-3-methyl-butane-1-boronate
[205393-22-2] [RN]
Bortezomib-pinanediol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 719.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.1±3.0 kJ/mol
    Flash Point: 389.0±32.9 °C
    Index of Refraction: 1.572
    Molar Refractivity: 143.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 102 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 51.1±5.0 dyne/cm
    Molar Volume: 435.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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