ChemSpider 2D Image | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN | C32H34N2O12

3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN

  • Molecular FormulaC32H34N2O12
  • Average mass638.619 Da
  • Monoisotopic mass638.211182 Da
  • ChemSpider ID4450207
  • 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-[(3S)-3-cyano-4-morpholinyl]-2,3,6-trideoxy-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-[(3S)-3-cyan-4-morpholinyl]-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
(8S-cis)-10-((3-((S)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
3-[(3S)-3-Cyano-4-morpholinyl]-2,3,6-tridésoxy-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]
3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN
5,12-Naphthacenedione, 10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
α-L-lyxo-Hexopyranoside, (1S,3S)-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl 3-[(3S)-3-cyano-4-morpholinyl]-2,3,6-trideoxy- [ACD/Index Name]
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(3S)-3-cyanomorpholin-4-yl]-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
3'-(3-Cyano-4-morpholinyl)-3'-deamino-adriamycin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 899.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 497.6±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.75
ACD/KOC (pH 5.5): 292.22
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 6.40
ACD/KOC (pH 7.4): 94.67
Polar Surface Area: 216 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 94.6±5.0 dyne/cm
Molar Volume: 400.8±5.0 cm3

Click to predict properties on the Chemicalize site






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