ChemSpider 2D Image | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN | C31H39NO12

N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN

  • Molecular FormulaC31H39NO12
  • Average mass617.641 Da
  • Monoisotopic mass617.247253 Da
  • ChemSpider ID4450317

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,6,11,12-pentahydroxy-10-methoxy-1,2,3,4-tetrahydro-1-tetracenyl 2,3,6-trideoxy-3-[(hydroxymethyl)(2-methoxyethyl)amino]-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,6,11,12-pentahydroxy-10-methoxy-1,2,3,4-tetrahydro-1-tetracenyl-2,3,6-tridesoxy-3-[(hydroxymethyl)(2-methoxyethyl)amino]-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-[(hydroxyméthyl)(2-méthoxyéthyl)amino]-α-L-lyxo-hexopyranoside de (1S,3S)-3-acétyl-3,5,6,11,12-pentahydroxy-10-méthoxy-1,2,3,4-tétrahydro-1-tétracényle [French] [ACD/IUPAC Name]
Ethanone, 1-[(2S,4S)-1,2,3,4-tetrahydro-2,5,6,11,12-pentahydroxy-7-methoxy-4-[[2,3,6-trideoxy-3-[(hydroxymethyl)(2-methoxyethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]- [ACD/Index Name]
N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN
DM9

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

Density: 1.5±0.1 g/cm3
Boiling Point: 881.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 487.1±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 158.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.56
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 31.65
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 35.76
Polar Surface Area: 199 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 89.2±5.0 dyne/cm
Molar Volume: 404.5±5.0 cm3

Click to predict properties on the Chemicalize site


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