Found 57 results

Search term: MF = 'C_{47}H_{76}O_{16}'
ChemSpider 2D Image | (3beta,9xi,13alpha,16alpha,17alpha,18xi,19xi)-16-Hydroxy-13,28-epoxyurs-11-en-3-yl pentopyranosyl-(1->2)hexopyranosyl-(1->2)-6-deoxyhexopyranoside | C47H76O16

(3β,9ξ,13α,16α,17α,18ξ,19ξ)-16-Hydroxy-13,28-epoxyurs-11-en-3-yl pentopyranosyl-(1->2)hexopyranosyl-(1->2)-6-deoxyhexopyranoside

  • Molecular FormulaC47H76O16
  • Average mass897.097 Da
  • Monoisotopic mass896.513306 Da
  • ChemSpider ID20576768

  • defined stereocentres - 9 of 26 defined stereocentres

More details:

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

(3β,9ξ,13α,16α,17α,18ξ,19ξ)-16-Hydroxy-13,28-epoxyurs-11-en-3-yl pentopyranosyl-(1->2)hexopyranosyl-(1->2)-6-deoxyhexopyranoside [ACD/IUPAC Name]
(3β,9ξ,13α,16α,17α,18ξ,19ξ)-16-Hydroxy-13,28-epoxyurs-11-en-3-yl-pentopyranosyl-(1->2)hexopyranosyl-(1->2)-6-desoxyhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, (3β,9ξ,13α,16α,17α,18ξ,19ξ)-13,28-epoxy-16-hydroxyurs-11-en-3-yl O-pentopyranosyl-(1->2)-O-hexopyranosyl-(1->2)-6-deoxy- [ACD/Index Name]
Pentopyranosyl-(1->2)hexopyranosyl-(1->2)-6-désoxyhexopyranoside de (3β,9ξ,13α,16α,17α,18ξ,19ξ)-16-hydroxy-13,28-époxyurs-11-én-3-yle [French] [ACD/IUPAC 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: 1.618
Molar Refractivity: 226.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23308.72
ACD/KOC (pH 5.5): 46513.31
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23308.62
ACD/KOC (pH 7.4): 46513.16
Polar Surface Area: 247 Å2
Polarizability: 89.9±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 647.3±5.0 cm3

Click to predict properties on the Chemicalize site


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