ChemSpider 2D Image | 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 2-O-(2-acetamido-2,6-dideoxy-3-O-methyl-alpha-D-galactopyranosyl)-6-deoxy-3-C-methyl-beta-D-galactopyranoside | C35H37NO14

6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 2-O-(2-acetamido-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranoside

  • Molecular FormulaC35H37NO14
  • Average mass695.667 Da
  • Monoisotopic mass695.221375 Da
  • ChemSpider ID4590125

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-(2-Acétamido-2,6-didésoxy-3-O-méthyl-α-D-galactopyranosyl)-6-désoxy-3-C-méthyl-β-D-galactopyranoside de 6-hydroxy-1-méthyl-5,12-dioxo-5,12-dihydrobenzo[h]chroméno[5,4,3-cde]chromén-10-yle [French] [ACD/IUPAC Name]
6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 2-O-(2-acetamido-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranoside [ACD/IUPAC Name]
6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl-2-O-(2-acetamido-2,6-didesoxy-3-O-methyl-α-D-galactopyranosyl)-6-desoxy-3-C-methyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((2-O-(2-(acetylamino)-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[2-O-[2-(acetylamino)-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl]-6-deoxy-3-C-methyl-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl - [ACD/Index Name]
106544-47-2 [RN]
Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((2-O-(2-(acetylamino)-2,6-dideoxy-3-O-methyl-α-D-galactopyranosyl)-6-deoxy-3-C-methyl-β-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-
N-Acetylelsamicin A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 991.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.4±3.0 kJ/mol
Flash Point: 553.2±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 170.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 475.35
ACD/KOC (pH 5.5): 2812.85
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 75.50
ACD/KOC (pH 7.4): 446.76
Polar Surface Area: 209 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 447.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement