Found 1 result

Search term: CN(C)[C@H]1[C@@H]2C[C@H]3[C@@H](O)c4c(Cl)ccc(O)c4[C@@H](O)[C@@H]3[C@@H](O)[C@H]2C(=O)[C@@H](C(N)=O)C1=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2R,4S,4aR,5aR,6R,11S,11aS,12R,12aS)-7-Chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide | C21H25ClN2O7

(2R,4S,4aR,5aR,6R,11S,11aS,12R,12aS)-7-Chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide

  • Molecular FormulaC21H25ClN2O7
  • Average mass452.885 Da
  • Monoisotopic mass452.135040 Da
  • ChemSpider ID26354009

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,4S,4aR,5aR,6R,11S,11aS,12R,12aS)-7-Chlor-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(2R,4S,4aR,5aR,6R,11S,11aS,12R,12aS)-7-Chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(2R,4S,4aR,5aR,6R,11S,11aS,12R,12aS)-7-Chloro-4-(diméthylamino)-6,10,11,12-tétrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodécahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-6,10,11,12-tetrahydroxy-1,3-dioxo-, (2R,4S,4aR,5aR,6R,11S,11aS,12R,12aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 767.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 417.7±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.18
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 161 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 87.9±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

Click to predict properties on the Chemicalize site


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