ChemSpider 2D Image | 4-(Dimethylamino)-6-(8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chr omen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate | C43H52N2O11

4-(Dimethylamino)-6-(8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chr omen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate

  • Molecular FormulaC43H52N2O11
  • Average mass772.880 Da
  • Monoisotopic mass772.357117 Da
  • ChemSpider ID4742376

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(Dimethylamino)-6-(8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chr omen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate [ACD/IUPAC Name]
4-(Dimethylamino)-6-(8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chr omen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(diméthylamino)-6-(8-[4-(diméthylamino)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-11-hydroxy-5-méthyl-2-{2-méthyl-3-[(1E)-1-propén-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphto [2,3-h]chromén-10-yl)-2,4-diméthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
11016-27-6 [RN]
Pluramycin
Pluramycin A

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

BRN 1615057 [DBID]
NSC 21205 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 878.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 485.1±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 204.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.65
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 10.15
ACD/KOC (pH 7.4): 30.60
Polar Surface Area: 165 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 569.6±5.0 cm3

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