ChemSpider 2D Image | (2Z,4S,4aS,5aS,6S,12aS)-2-[Amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-8-methoxy-6-methyl-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione | C23H25ClN2O9

(2Z,4S,4aS,5aS,6S,12aS)-2-[Amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-8-methoxy-6-methyl-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione

  • Molecular FormulaC23H25ClN2O9
  • Average mass508.906 Da
  • Monoisotopic mass508.124847 Da
  • ChemSpider ID4589995

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2Z,4S,4aS,5aS,6S,12aS)-2-[Amino(hydroxy)methylen]-7-chlor-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-8-methoxy-6-methyl-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracentrion [German] [ACD/IUPAC Name]
(2Z,4S,4aS,5aS,6S,12aS)-2-[Amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-8-methoxy-6-methyl-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione [ACD/IUPAC Name]
(2Z,4S,4aS,5aS,6S,12aS)-2-[Amino(hydroxy)méthylène]-7-chloro-4-(diméthylamino)-6,10,11,12a-tétrahydroxy-8-méthoxy-6-méthyl-4a,5a,6,12a-tétrahydro-1,3,12(2H,4H,5H)-tétracènetrione [French] [ACD/IUPAC Name]
1,3,12(2H,4H,5H)-Naphthacenetrione, 2-(aminohydroxymethylene)-7-chloro-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-6,10,11,12a-tetrahydroxy-8-methoxy-6-methyl-, (2Z,4S,4aS,5aS,6S,12aS)- [ACD/Index Name]
(2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-8-methoxy-6-methyl-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione
(2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-8-methoxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
110298-63-0 [RN]
112077-89-1 [RN]
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-7-chloro-4-(dimethylamino)-1,11-dioxo-8-methoxy-6-methyl-3,6,10,12,12a-pentahydroxy-, (4S-(4-α,4a-α,5a-α,6-β,12a-α))-
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-8-methoxy-6-methyl-1,11-dioxo-, (4S-(4α,4aα,5aα,6β,12aα))-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Sch 36969 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.27
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 97.8±5.0 dyne/cm
Molar Volume: 302.7±5.0 cm3

Click to predict properties on the Chemicalize site


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