ChemSpider 2D Image | (3S)-3-Acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2-deoxy-beta-D-threo-pentopyranoside | C25H25NO9

(3S)-3-Acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2-deoxy-β-D-threo-pentopyranoside

  • Molecular FormulaC25H25NO9
  • Average mass483.467 Da
  • Monoisotopic mass483.152924 Da
  • ChemSpider ID23976144

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S)-3-Acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2-deoxy-β-D-threo-pentopyranoside [ACD/IUPAC Name]
(3S)-3-Acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2-desoxy-β-D-threo-pentopyranosid [German] [ACD/IUPAC Name]
2-Désoxy-β-D-thréo-pentopyranoside de (3S)-3-acétyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 9-acetyl-9-amino-7-[(2-deoxy-β-D-threo-pentopyranosyl)oxy]-7,8,9,10-tetrahydro-6,11-dihydroxy-, (9S)- [ACD/Index Name]
(9S)-9-acetyl-9-amino-7-(((2S,4R,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Amrubicin [INN] [USAN] [Wiki]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 717.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.1±3.0 kJ/mol
    Flash Point: 387.9±32.9 °C
    Index of Refraction: 1.720
    Molar Refractivity: 119.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 7.79
    ACD/KOC (pH 5.5): 118.81
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 8.06
    ACD/KOC (pH 7.4): 122.90
    Polar Surface Area: 177 Å2
    Polarizability: 47.2±0.5 10-24cm3
    Surface Tension: 95.4±5.0 dyne/cm
    Molar Volume: 301.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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