ChemSpider 2D Image | (1'S,2S,4aR,5'S,5aS,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-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-y l beta-D-xylopyranoside | C35H54O8

(1'S,2S,4aR,5'S,5aS,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-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-y l β-D-xylopyranoside

  • Molecular FormulaC35H54O8
  • Average mass602.799 Da
  • Monoisotopic mass602.381897 Da
  • ChemSpider ID9694804

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1'S,2S,4aR,5'S,5aS,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-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-y ;l β-D-xylopyranoside [ACD/IUPAC Name]
β-D-Xylopyranoside, (1'S,2S,4aR,5'S,5aS,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-hexadecahydro-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]dio xabicyclo[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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13764.75
ACD/KOC (pH 5.5): 31924.08
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13764.67
ACD/KOC (pH 7.4): 31923.91
Polar Surface Area: 110 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 461.7±5.0 cm3

Click to predict properties on the Chemicalize site


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