ChemSpider 2D Image | (1S,2R,3S,4R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-methoxy-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-9-yl beta-D-gala ctopyranoside | C37H60O10

(1S,2R,3S,4R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-methoxy-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-9-yl β-D-gala ctopyranoside

  • Molecular FormulaC37H60O10
  • Average mass664.866 Da
  • Monoisotopic mass664.418640 Da
  • ChemSpider ID8731735

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(1S,2R,3S,4R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-methoxy-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-9-yl β-D-gala ctopyranoside [ACD/IUPAC Name]
(1S,2R,3S,4R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-methoxy-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-9-yl-β-D-gala ctopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside de (1S,2R,3S,4R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-méthoxy-2-propanyl)-3,8,8,17,19-pentaméthyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,1 4]tétracos-9-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (2S,4aR,5aS,7aR,7bR,8R,10R,11S,12aS,13R,13aS,13bR)-heptadecahydro-13-hydroxy-11-(1-methoxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth [2',1':4,5]indeno[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: 767.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 418.0±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 173.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.10
ACD/KOC (pH 5.5): 920.60
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.10
ACD/KOC (pH 7.4): 920.59
Polar Surface Area: 147 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 508.2±5.0 cm3

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