ChemSpider 2D Image | (4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-9-(hydroxymethyl)-3-isopropyl-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside | C26H42O8

(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-9-(hydroxymethyl)-3-isopropyl-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl α-D-gulopyranoside

  • Molecular FormulaC26H42O8
  • Average mass482.607 Da
  • Monoisotopic mass482.287964 Da
  • ChemSpider ID35033336
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-9-(hydroxymethyl)-3-isopropyl-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl α-D-gulopyranoside [ACD/IUPAC Name]
(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-9-(hydroxymethyl)-3-isopropyl-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl-α-D-gulopyranosid [German] [ACD/IUPAC Name]
(4r,5r,6r,6as,9s,9ae,10ar)-5-Hydroxy-9-(Hydroxymethyl)-6,10a-Dimethyl-3-(Propan-2-Yl)-1,2,4,5,6,6a,7,8,9,10a-Decahydrodicyclopenta[a,D][8]annulen-4-Yl α-D-Gulopyranoside
α-D-Gulopyranoside de (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxyméthyl)-3-isopropyl-6,10a-diméthyl-1,2,4,5,6,6a,7,8,9,10a-décahydrodicyclopenta[a,d][8]annulén-4-yle [French] [ACD/IUPAC Name]
α-D-Gulopyranoside, (4R,5R,6R,6aS,9S,9aE,10aR)-1,2,4,5,6,6a,7,8,9,10a-decahydro-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta[a,d]cycloocten-4-yl [ACD/Index Name]
0DV

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 368.0±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.29
ACD/KOC (pH 5.5): 197.27
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.29
ACD/KOC (pH 7.4): 197.26
Polar Surface Area: 140 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 368.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement