ChemSpider 2D Image | (1S,2R,10R,11R,16R,18R,20R,22S)-18-(2-Hydroxy-2-propanyl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.0~1,14~.0~2,11~.0~5,10~.0~15,22~.0~16,20~]pentacos-7-yl 2-O-(6-deoxy-alpha-L-mannopyr anosyl)-beta-D-galactopyranoside | C42H68O14

(1S,2R,10R,11R,16R,18R,20R,22S)-18-(2-Hydroxy-2-propanyl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.01,14.02,11.05,10.015,22.016,20]pentacos-7-yl 2-O-(6-deoxy-α-L-mannopyr anosyl)-β-D-galactopyranoside

  • Molecular FormulaC42H68O14
  • Average mass796.981 Da
  • Monoisotopic mass796.460938 Da
  • ChemSpider ID8254576

  • defined stereocentres - 18 of 22 defined stereocentres

More details:

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

(1S,2R,10R,11R,16R,18R,20R,22S)-18-(2-Hydroxy-2-propanyl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.01,14.02,11.05,10.015,22.016,20]pentacos-7-yl 2-O-(6-deoxy-α-L-mannopyr anosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
(1S,2R,10R,11R,16R,18R,20R,22S)-18-(2-Hydroxy-2-propanyl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.01,14.02,11.05,10.015,22.016,20]pentacos-7-yl-2-O-(6-desoxy-α-L-mannopy ranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-galactopyranoside de (1S,2R,10R,11R,16R,18R,20R,22S)-18-(2-hydroxy-2-propanyl)-2,6,6,10,16-pentaméthyl-17,21,23-trioxaheptacyclo[20.2.1.01,14.02,11.05 ,10.015,22.016,20]pentacos-7-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (6aR,6bS,8aS,9aR,11R,12aR,14aR,14bR)-octadecahydro-11-(1-hydroxy-1-methylethyl)-4,4,6a,12a,14b-pentamethyl-6b,8a-methano-7H-furo[2',3':4,5]furo[2,3-b]phenanthro[2,1-d]pyran-3 -yl 2-O-(6-deoxy-α-L-mannopyranosyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 200.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2006.52
ACD/KOC (pH 5.5): 8044.27
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2006.50
ACD/KOC (pH 7.4): 8044.18
Polar Surface Area: 206 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 577.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement