ChemSpider 2D Image | (1R,4S,5S,8R,9R,12S,13S,16S)-19-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0~1,13~.0~4,12~.0~5,9~]nonadec-2-en-16-yl beta-D-glucopyranoside | C36H58O9

(1R,4S,5S,8R,9R,12S,13S,16S)-19-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl β-D-glucopyranoside

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID65047917

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(1R,4S,5S,8R,9R,12S,13S,16S)-19-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R,4S,5S,8R,9R,12S,13S,16S)-19-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1R,4S,5S,8R,9R,12S,13S,16S)-19-hydroxy-8-[(2R,4E)-6-hydroxy-6-méthyl-4-heptén-2-yl]-5,9,17,17-tétraméthyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadéc-2-én-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3S,5R,8S,9S,10S,13R,14S,17R)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-18-hydroxy-17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2 H-cyclopenta[a]phenanthren-3-yl [ACD/Index Name]
1011726-62-7 [RN]
Momordicoside P

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 409.7±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.45
ACD/KOC (pH 5.5): 782.99
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.44
ACD/KOC (pH 7.4): 782.98
Polar Surface Area: 149 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 500.1±5.0 cm3

Click to predict properties on the Chemicalize site


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