ChemSpider 2D Image | (1S,2R,5R,7S,10R,11R,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.0~1,14~.0~2,11~.0~5,10~.0~15,20~]tricos-7-yl 3-O-beta-D-glucopyranosyl-beta -D-glucopyranoside | C42H68O14

(1S,2R,5R,7S,10R,11R,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl 3-O-β-D-glucopyranosyl-β -D-glucopyranoside

  • Molecular FormulaC42H68O14
  • Average mass796.981 Da
  • Monoisotopic mass796.460938 Da
  • ChemSpider ID9789539

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(1S,2R,5R,7S,10R,11R,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl 3-O-β-D-glucopyranosyl-β
 -D-glucopyranoside [ACD/IUPAC Name]
(1S,2R,5R,7S,10R,11R,16S,17R,20R)-16-Hydroxy-2,6,6,10,16-pentamethyl-17-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl-3-O-β-D-glucopyranosyl-β
 -D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1S,2R,5R,7S,10R,11R,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentaméthyl-17-(2-méthyl-1-propén-1-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10 .015,20]tricos-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR)-hexadecahydro-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methyl-1-propen-1-yl)-4a,6a-methano-1H,6H-phenanthro[2,1-d]pyrano[2,3-b]pyran-10-yl 3-O-β-D-glucopyranosyl- [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: 914.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.9±6.0 kJ/mol
Flash Point: 506.7±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 202.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 452.77
ACD/KOC (pH 5.5): 2771.30
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.77
ACD/KOC (pH 7.4): 2771.26
Polar Surface Area: 217 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 580.1±5.0 cm3

Click to predict properties on the Chemicalize site


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