ChemSpider 2D Image | (3R)-3,7-Dimethyl-1,6-octadien-3-yl 2-O-{6-deoxy-4-O-[(2E,6R)-2,6-dimethyl-6-({2-O-[(2E)-2,6,6-trimethyl-2,7-octadienoyl]hexopyranosyl}oxy)-2,7-octadienoyl]hexopyranosyl}hexopyranoside | C49H78O18

(3R)-3,7-Dimethyl-1,6-octadien-3-yl 2-O-{6-deoxy-4-O-[(2E,6R)-2,6-dimethyl-6-({2-O-[(2E)-2,6,6-trimethyl-2,7-octadienoyl]hexopyranosyl}oxy)-2,7-octadienoyl]hexopyranosyl}hexopyranoside

  • Molecular FormulaC49H78O18
  • Average mass955.133 Da
  • Monoisotopic mass954.518799 Da
  • ChemSpider ID4579220

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 17 defined stereocentres

More details:

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

(3R)-3,7-Dimethyl-1,6-octadien-3-yl 2-O-{6-deoxy-4-O-[(2E,6R)-2,6-dimethyl-6-({2-O-[(2E)-2,6,6-trimethyl-2,7-octadienoyl]hexopyranosyl}oxy)-2,7-octadienoyl]hexopyranosyl}hexopyranoside [ACD/IUPAC Name]
(3R)-3,7-Dimethyl-1,6-octadien-3-yl-2-O-{6-desoxy-4-O-[(2E,6R)-2,6-dimethyl-6-({2-O-[(2E)-2,6,6-trimethyl-2,7-octadienoyl]hexopyranosyl}oxy)-2,7-octadienoyl]hexopyranosyl}hexopyranosid [German] [ACD/IUPAC Name]
2-O-{6-Désoxy-4-O-[(2E,6R)-2,6-diméthyl-6-({2-O-[(2E)-2,6,6-triméthyl-2,7-octadienoyl]hexopyranosyl}oxy)-2,7-octadienoyl]hexopyranosyl}hexopyranoside de (3R)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl 2-O-[6-deoxy-4-O-[(2E,6R)-2,6-dimethyl-1-oxo-6-[[2-O-[(2E)-2,6,6-trimethyl-1-oxo-2,7-octadien-1-yl]hexopyranosyl]oxy]-2,7-octadien-1-yl]hexopyr anosyl]- [ACD/Index Name]
Anatolioside D

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

NSC671301 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 983.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.5±6.0 kJ/mol
Flash Point: 272.1±27.8 °C
Index of Refraction: 1.563
Molar Refractivity: 247.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 4
ACD/LogP: 11.32
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 171166.75
ACD/KOC (pH 5.5): 193935.91
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 171162.44
ACD/KOC (pH 7.4): 193931.00
Polar Surface Area: 270 Å2
Polarizability: 98.0±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 761.1±5.0 cm3

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