ChemSpider 2D Image | (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-ammonio-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside | C27H30NO10

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-ammonio-2,3,6-trideoxy-α-L-lyxo-hexopyranoside

  • Molecular FormulaC27H30NO10
  • Average mass528.527 Da
  • Monoisotopic mass528.186401 Da
  • ChemSpider ID5422473

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-ammonio-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-ammonio-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-Ammonio-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, conjugate acid, (8S,10S)- [ACD/Index Name]
(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-ammmonio-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
(8S,10S)-8-acetyl-10-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Daunorubicin [Wiki]
daunorubicin (+1)
daunorubicin cation
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC03917708 [DBID]
  • Miscellaneous

    • Chemical Class:

      An anthracycline cation that is the conjugate acid of daunorubicin, arising from protonation of the amino group. ChEBI CHEBI:64677

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

Density:
Boiling Point: 770.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.92
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.83
Polar Surface Area: 187 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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