ChemSpider 2D Image | (3R,5R,8R,9S,10S,13S,14S,17R)-10,13-Dimethyl-5'-oxooctadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3-yl beta-D-glucopyranoside | C28H44O8

(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-Dimethyl-5'-oxooctadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3-yl β-D-glucopyranoside

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID8895780

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-Dimethyl-5'-oxooctadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-5'-one, 3-(β-D-glucopyranosyloxy)octadecahydro-10,13-dimethyl-, (3R,5R,8R,9S,10S,13S,14S,17R)- [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: 695.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 227.5±25.0 °C
Index of Refraction: 1.593
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.98
ACD/KOC (pH 5.5): 153.94
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.98
ACD/KOC (pH 7.4): 153.94
Polar Surface Area: 126 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 385.6±5.0 cm3

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