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Search term: 22914130 (Found by CSID)
ChemSpider 2D Image | 2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]tetracos-4-en-9-yl beta-D-xylopyranoside | C35H54O9

2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl β-D-xylopyranoside

  • Molecular FormulaC35H54O9
  • Average mass618.798 Da
  • Monoisotopic mass618.376770 Da
  • ChemSpider ID22914130

  • defined stereocentres - 4 of 16 defined stereocentres

More details:

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

2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl β-D-xylopyranoside [ACD/IUPAC Name]
2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de 2-hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentaméthyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tétracos-4-én-9-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, 1,3,4,6,7,7a,7b,8,9,10,11,13,13a,15,15a-pentadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1':4,5]ind eno[2,1-b]oxepin-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: 751.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.0±6.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 161.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.26
ACD/KOC (pH 5.5): 2667.51
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.26
ACD/KOC (pH 7.4): 2667.50
Polar Surface Area: 138 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 462.2±5.0 cm3

Click to predict properties on the Chemicalize site


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