ChemSpider 2D Image | (6aE)-6-{[2,6-Dideoxy-2-(methylamino)hexopyranosyl]oxy}-1a-(1,2-dihydroxyethyl)-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methyl-1-napht hoate | C34H35NO11

(6aE)-6-{[2,6-Dideoxy-2-(methylamino)hexopyranosyl]oxy}-1a-(1,2-dihydroxyethyl)-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methyl-1-napht hoate

  • Molecular FormulaC34H35NO11
  • Average mass633.642 Da
  • Monoisotopic mass633.221008 Da
  • ChemSpider ID4944880

  • Double-bond stereo - Double-bond stereo

More details:

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

(6aE)-6-{[2,6-Dideoxy-2-(methylamino)hexopyranosyl]oxy}-1a-(1,2-dihydroxyethyl)-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methyl-1-napht hoate [ACD/IUPAC Name]
(6aE)-6-{[2,6-Didesoxy-2-(methylamino)hexopyranosyl]oxy}-1a-(1,2-dihydroxyethyl)-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl-2-hydroxy-7-methoxy-5-methyl-1-naph thoat [German] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 2-hydroxy-7-methoxy-5-methyl-, (6aE)-2,3,8,9-tetradehydro-6-[[2,6-dideoxy-2-(methylamino)hexopyranosyl]oxy]-1a-(1,2-dihydroxyethyl)-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyc lonon[1,2-b]oxiren-5-yl ester [ACD/Index Name]
2-Hydroxy-7-méthoxy-5-méthyl-1-naphtoate de (6aE)-6-{[2,6-didésoxy-2-(méthylamino)hexopyranosyl]oxy}-1a-(1,2-dihydroxyéthyl)-2,3,8,9-tétradéhydro-1a,5,6,9a-tétrahydrocyclopenta[5,6]cyclonona[1,2-b]oxi rén-5-yle [French] [ACD/IUPAC Name]
1-NAPHTHALENECARBOXYLIC ACID 2-HYDROXY-7-METHOXY-5-METHYL-,2,3,8,9-T ETRADEHYDRO-6-((2,6-DIDEOXY-2-(METHYLAMINO)-A-D-GALACTOPYRANOSYL)O XY)-1A-(1,2-DIHYDROXYETHYL)-1A,5,6,9A-TETRAHYDROCYCLOPENTA(5,6)CYCLONO N[1,2-B]OXIREN-5-YL ESTER

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

Density: 1.5±0.1 g/cm3
Boiling Point: 897.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 496.4±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 9.38
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 60.43
ACD/KOC (pH 7.4): 306.36
Polar Surface Area: 180 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 86.0±5.0 dyne/cm
Molar Volume: 416.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement