ChemSpider 2D Image | 1-O-[(3beta,10alpha,14beta)-3-{[2-O-(alpha-L-Altropyranosyl)-beta-D-allopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-alpha-L-altropyranose | C48H76O19

1-O-[(3β,10α,14β)-3-{[2-O-(α-L-Altropyranosyl)-β-D-allopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-α-L-altropyranose

  • Molecular FormulaC48H76O19
  • Average mass957.106 Da
  • Monoisotopic mass956.498108 Da
  • ChemSpider ID114391874

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

1-O-[(3β,10α,14β)-3-{[2-O-(α-L-Altropyranosyl)-β-D-allopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-α-L-altropyranose [German] [ACD/IUPAC Name]
1-O-[(3β,10α,14β)-3-{[2-O-(α-L-Altropyranosyl)-β-D-allopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-α-L-altropyranose [ACD/IUPAC Name]
1-O-[(3β,10α,14β)-3-{[2-O-(α-L-Altropyranosyl)-β-D-allopyranuronosyl]oxy}-28-oxooléan-12-én-28-yl]-α-L-altropyranose [French] [ACD/IUPAC Name]
α-L-Altropyranose, 1-O-[(3β,10α,14β)-3-[(2-O-α-L-altropyranosyl-β-D-allopyranuronosyl)oxy]-28-oxoolean-12-en-28-yl]- [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: 1018.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.5±6.0 kJ/mol
Flash Point: 289.2±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 234.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 8.51
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 662.3±5.0 cm3

Click to predict properties on the Chemicalize site


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