ChemSpider 2D Image | (4S,4aS,5aR,12aR)-4-(Dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-[(1-methylprolyl)amino]-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboximidic acid | C27H31FN4O8

(4S,4aS,5aR,12aR)-4-(Dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-[(1-methylprolyl)amino]-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboximidic acid

  • Molecular FormulaC27H31FN4O8
  • Average mass558.555 Da
  • Monoisotopic mass558.212585 Da
  • ChemSpider ID68025412

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4S,4aS,5aR,12aR)-4-(Dimethylamino)-7-fluor-1,10,11,12a-tetrahydroxy-9-[(1-methylprolyl)amino]-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracencarboximidsäure [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aR)-4-(Dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-9-[(1-methylprolyl)amino]-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboximidic acid [ACD/IUPAC Name]
2-Naphthacenecarboximidic acid, 4-(dimethylamino)-7-fluoro-3,4,4a,5,5a,6,12,12a-octahydro-1,10,11,12a-tetrahydroxy-9-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-3,12-dioxo-, (4S,4aS,5aR,12aR)- [ACD/Index Name]
Acide (4S,4aS,5aR,12aR)-4-(diméthylamino)-7-fluoro-1,10,11,12a-tétrahydroxy-9-[(1-méthylprolyl)amino]-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tétracènecarboximidique [French] [ACD/IUPAC Name]
TP-271

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 133.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 330.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement