ChemSpider 2D Image | (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-{(E)-[(dimethylamino)methylene]amino}-alpha-L-lyxo-hexopyranoside | C30H34N2O10

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-{(E)-[(dimethylamino)methylene]amino}-α-L-lyxo-hexopyranoside

  • Molecular FormulaC30H34N2O10
  • Average mass582.598 Da
  • Monoisotopic mass582.221375 Da
  • ChemSpider ID112936

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-{(E)-[(dimethylamino)methylene]amino}-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-{(E)-[(dimethylamino)methylen]amino}-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-{(E)-[(diméthylamino)méthylène]amino}-α-L-lyxo-hexopyranoside de (1S,3S)-3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[[(1E)-(dimethylamino)methylene]amino]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
3'-Desamino-3'-dimethylformamidine rubomycin
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(((dimethylamino)methylene)amino)-α-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-
99132-20-4 [RN]
DR-2
N-(N:N'-Dimethylaminomethinyl)-daunorubicin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 793.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 433.9±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.37
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.75
Polar Surface Area: 175 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 389.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement