ChemSpider 2D Image | Morpholinodoxorubicin | C31H35NO12

Morpholinodoxorubicin

  • Molecular FormulaC31H35NO12
  • Average mass613.609 Da
  • Monoisotopic mass613.215942 Da
  • ChemSpider ID83420

  • defined stereocentres - 6 of 6 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 2,3,6-trideoxy-3-(4-morpholinyl)-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-2,3,6-tridesoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-(4-morpholinyl)-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, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
80790-68-7 [RN]
Morpholinodoxorubicin
3'-Deamino-3'-(4-morpholinyl)daunorubicin
3'-Deamino-3'-morpholino-adriamycin
3'-Morpholino-3'-deaminodaunorubicin
Morpholinyl doxorubicin

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

X0N4EFN4AI [DBID]
NSC 354646 [DBID]
UNII:X0N4EFN4AI [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 842.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 463.2±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 56.50
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 9.26
ACD/KOC (pH 7.4): 120.74
Polar Surface Area: 193 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 89.7±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

Click to predict properties on the Chemicalize site


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