ChemSpider 2D Image | 7,14-dioxo-, methyl ester, (9R)- | C36H43NO17

7,14-dioxo-, methyl ester, (9R)-

  • Molecular FormulaC36H43NO17
  • Average mass761.723 Da
  • Monoisotopic mass761.253113 Da
  • ChemSpider ID4442631

  • defined stereocentres - 6 of 11 defined stereocentres

More details:

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

(11R)-11-[(6-Désoxy-2,3,4-tri-O-méthyl-β-D-mannopyranosyl)oxy]-22-(diméthylamino)-1,6,9,9,13,17,21-heptahydroxy-20-méthyl-4,15-dioxo-23-oxahexacyclo[18.2.1.02,19.03,16.05,14.07,12]tricosa-2 ;,5(14),6,12,16,18-hexaène-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,4-Epoxybenzo[a]naphthacene-12-carboxylic acid, 9-[(6-deoxy-2,3,4-tri-O-methyl-β-D-mannopyranosyl)oxy]-2-(dimethylamino)-1,2,3,4,7,9,10,11,12,14-decahydro-1,3,6,8,11,11,13-heptahydroxy-4-methyl-
1,4-Epoxybenzo[a]naphthacene-12-carboxylic acid, 9-[(6-deoxy-2,3,4-tri-O-methyl-β-D-mannopyranosyl)oxy]-2-(dimethylamino)-1,2,3,4,7,9,10,11,12,14-decahydro-1,3,6,8,11,11,13-heptahydroxy-4-methyl-7, 14-dioxo-, methyl ester, (9R)- [ACD/Index Name]
7,14-dioxo-, methyl ester, (9R)-
Methyl (11R)-11-[(6-deoxy-2,3,4-tri-O-methyl-β-D-mannopyranosyl)oxy]-22-(dimethylamino)-1,6,9,9,13,17,21-heptahydroxy-20-methyl-4,15-dioxo-23-oxahexacyclo[18.2.1.02,19.03,16.05,14.07,12]tri cosa-2,5(14),6,12,16,18-hexaene-8-carboxylate [ACD/IUPAC Name]
Methyl-(11R)-11-[(6-desoxy-2,3,4-tri-O-methyl-β-D-mannopyranosyl)oxy]-22-(dimethylamino)-1,6,9,9,13,17,21-heptahydroxy-20-methyl-4,15-dioxo-23-oxahexacyclo[18.2.1.02,19.03,16.05,14.07,12]tr icosa-2,5(14),6,12,16,18-hexaen-8-carboxylat [German] [ACD/IUPAC Name]
1,4-Epoxybenzo[a]naphthacene-12-carboxylic acid, 9-[(6-deoxy-2,3,4-tri-O-methyl-β-D-mannopyranosyl)oxy]-2-(dimethylamino)-1,2,3,4,7,9,10,11,12,14-decahydro-1,3,6,8,11,11,13-heptahydroxy-4-methyl-7,14-dioxo-, methyl ester, (9R)-

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

AIDS293022 [DBID]
AIDS-293022 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 888.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.3±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 179.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 7.11
ACD/KOC (pH 5.5): 52.48
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 8.01
Polar Surface Area: 261 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 93.3±5.0 dyne/cm
Molar Volume: 466.3±5.0 cm3

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