ChemSpider 2D Image | Pirarubicin | C32H37NO12

Pirarubicin

  • Molecular FormulaC32H37NO12
  • Average mass627.636 Da
  • Monoisotopic mass627.231567 Da
  • ChemSpider ID552185

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-[(2S)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-4-O-[(2S)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-[(2S)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranoside
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yloxy]oxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yloxy]oxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione
3-Amino-2,3,6-tridésoxy-4-O-[(2S)-tétrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[[3-amino-2,3,6-trideoxy-4-O-[(2S)-tetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)- [ACD/Index Name]
Pirarubicin [INN] [JP15] [Wiki]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2S)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D01885 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 834.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 127.1±3.0 kJ/mol
    Flash Point: 458.6±34.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 154.6±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 6
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 3.85
    ACD/LogD (pH 5.5): -0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.18
    Polar Surface Area: 204 Å2
    Polarizability: 61.3±0.5 10-24cm3
    Surface Tension: 83.0±5.0 dyne/cm
    Molar Volume: 413.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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