ChemSpider 2D Image | (4R,5S,6R,9R,11E,13E,15R,16R)-15-[(Benzyloxy)methyl]-16-ethyl-7-formyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside | C37H55NO10

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

  • Molecular FormulaC37H55NO10
  • Average mass673.833 Da
  • Monoisotopic mass673.382568 Da
  • ChemSpider ID4979845

  • 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)-15-[(Benzyloxy)methyl]-16-ethyl-7-formyl-4-hydroxy-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)-15-[(Benzyloxy)methyl]-16-ethyl-7-formyl-4-hydroxy-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)-15-[(benzyloxy)méthyl]-16-éthyl-7-formyl-4-hydroxy-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-5,9,13-trimethyl-2,10-dioxo-15-[(phenylmethoxy)methyl]-, (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-5,9,13-trimethyl-2,10-dioxo-15-[(phenylmethoxy)methyl]-, (4R,5S,6R,9R,15R,16R)-

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

AIDS180857 [DBID]
AIDS-180857 [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: 826.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.6±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 16.23
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 76.10
ACD/KOC (pH 7.4): 629.78
Polar Surface Area: 152 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 562.0±5.0 cm3

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