ChemSpider 2D Image | (1'R,2S,4S,4'R,4aS,5'S,5aS,7aR,7bR,8R,10R,11aS,12aS)-4,4'-Dihydroxy-1,1,5',7a,8,12a-hexamethylhexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1. 0]hexan]-2-yl beta-D-xylopyranoside | C35H54O10

(1'R,2S,4S,4'R,4aS,5'S,5aS,7aR,7bR,8R,10R,11aS,12aS)-4,4'-Dihydroxy-1,1,5',7a,8,12a-hexamethylhexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1. 0]hexan]-2-yl β-D-xylopyranoside

  • Molecular FormulaC35H54O10
  • Average mass634.797 Da
  • Monoisotopic mass634.371704 Da
  • ChemSpider ID8707503

  • defined stereocentres - 17 of 19 defined stereocentres

More details:

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

(1'R,2S,4S,4'R,4aS,5'S,5aS,7aR,7bR,8R,10R,11aS,12aS)-4,4'-Dihydroxy-1,1,5',7a,8,12a-hexamethylhexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1. ;0]hexan]-2-yl β-D-xylopyranoside [ACD/IUPAC Name]
β-D-Xylopyranoside, (1'R,2S,4S,4'R,4aS,5'S,5aS,7aR,7bR,8R,10R,11aS,12aS)-hexadecahydro-4,4'-dihydroxy-1,1,5',7a,8,12a-hexamethylspiro[5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10(2H) ,2'-[3,6]dioxabicyclo[3.1.0]hexan]-2-yl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 161.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 302.94
ACD/KOC (pH 5.5): 2078.53
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 302.93
ACD/KOC (pH 7.4): 2078.49
Polar Surface Area: 151 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 457.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement