ChemSpider 2D Image | 13-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid | C32H50O13

13-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid

  • Molecular FormulaC32H50O13
  • Average mass642.732 Da
  • Monoisotopic mass642.325134 Da
  • ChemSpider ID142307

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

13-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid [ACD/IUPAC Name]
13-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}kaur-16-en-18-säure [German] [ACD/IUPAC Name]
Acide 13-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}kaur-16-én-18-oïque [French] [ACD/IUPAC Name]
(1S,4R,5R,9R,10S,13R)-13-{[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-5,9-DIMETHYL-14-METHYLIDENETETRACYCLO[11.2.1.0–,–?.0?,?]HEXADECANE-5-CARBOXYLIC ACID
41093-60-1 [RN]
Kaur-16-en-18-oic acid, 13-((2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-, (4α)-
steviolbioside

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

CCRIS 6025 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 847.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.0±6.0 kJ/mol
Flash Point: 267.6±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 27.69
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 441.3±5.0 cm3

Click to predict properties on the Chemicalize site


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