ChemSpider 2D Image | (4R,5S,6R,9R,11E,13E,15R,16R)-16-Ethyl-7-formyl-4-hydroxy-15-(methoxymethyl)-5,9,13-trimethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside | C31H51NO10

(4R,5S,6R,9R,11E,13E,15R,16R)-16-Ethyl-7-formyl-4-hydroxy-15-(methoxymethyl)-5,9,13-trimethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside

  • Molecular FormulaC31H51NO10
  • Average mass597.737 Da
  • Monoisotopic mass597.351318 Da
  • ChemSpider ID4979842

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(4R,5S,6R,9R,11E,13E,15R,16R)-16-Ethyl-7-formyl-4-hydroxy-15-(methoxymethyl)-5,9,13-trimethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside [ACD/IUPAC Name]
(4R,5S,6R,9R,11E,13E,15R,16R)-16-Ethyl-7-formyl-4-hydroxy-15-(methoxymethyl)-5,9,13-trimethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl-3,6-didesoxy-3-(dimethylamino)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(diméthylamino)-β-D-glucopyranoside de (4R,5S,6R,9R,11E,13E,15R,16R)-16-éthyl-7-formyl-4-hydroxy-15-(méthoxyméthyl)-5,9,13-triméthyl-2,10-dioxooxacyclohexadéca-11,13-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-carboxaldehyde, 6-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-4-hydroxy-15-(methoxymethyl)-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,6R,9R,11E,13E,15R ,16R)- [ACD/Index Name]
Oxacyclohexadeca-11,13-diene-7-carboxaldehyde, 6-[[3,6-dideoxy-3-(dimethylamino)-b-D-glucopyranosyl]oxy]-16-ethyl-4-hydroxy-15-(methoxymethyl)-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,6R,9R,15R,16R)-

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

AIDS180854 [DBID]
AIDS-180854 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 764.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 416.4±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 3.90
ACD/KOC (pH 7.4): 75.15
Polar Surface Area: 152 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 504.0±5.0 cm3

Click to predict properties on the Chemicalize site


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