ChemSpider 2D Image | (2R)-7-Octen-2-yl 3,6-dideoxy-4-O-{[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl]acetyl}-alpha-L-arabino-hexopyranoside | C31H50O9

(2R)-7-Octen-2-yl 3,6-dideoxy-4-O-{[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]acetyl}-α-L-arabino-hexopyranoside

  • Molecular FormulaC31H50O9
  • Average mass566.723 Da
  • Monoisotopic mass566.345459 Da
  • ChemSpider ID26631506

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2R)-7-Octen-2-yl 3,6-dideoxy-4-O-{[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]acetyl}-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
(2R)-7-Octen-2-yl-3,6-didesoxy-4-O-{[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]acetyl}-α-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-4-O-{2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yl]acétyl}-α-L-arabino-hexopyranoside de (2R)-7-octén-2-yle [French] [ACD/IUPAC Name]
α-L-arabino-Hexopyranoside, (1R)-1-methyl-6-hepten-1-yl 3,6-dideoxy-, 4-[2-[(3R,5aS,6R,8aS,9R,10R,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]acetate] [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 191.5±25.0 °C
Index of Refraction: 1.532
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5336.67
ACD/KOC (pH 5.5): 16202.14
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5336.66
ACD/KOC (pH 7.4): 16202.12
Polar Surface Area: 102 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 480.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement