ChemSpider 2D Image | (1alpha,3alpha,8alpha,9beta,10alpha,13alpha,14beta,17beta,20R,22S,25S)-3-Hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-alpha-D-mannopyranosyl)-beta-L-xylopyranoside | C38H60O12

(1α,3α,8α,9β,10α,13α,14β,17β,20R,22S,25S)-3-Hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-α-D-mannopyranosyl)-β-L-xylopyranoside

  • Molecular FormulaC38H60O12
  • Average mass708.876 Da
  • Monoisotopic mass708.408447 Da
  • ChemSpider ID114544953

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(1α,3α,8α,9β,10α,13α,14β,17β,20R,22S,25S)-3-Hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-α-D-mannopyranosyl)-β-L-xylopyranoside [ACD/IUPAC Name]
(1α,3α,8α,9β,10α,13α,14β,17β,20R,22S,25S)-3-Hydroxyspirost-5-en-1-yl-2-O-(6-desoxy-α-D-mannopyranosyl)-β-L-xylopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-D-mannopyranosyl)-β-L-xylopyranoside de (1α,3α,8α,9β,10α,13α,14β,17β,20R,22S,25S)-3-hydroxyspirost-5-én-1-yle [French] [ACD/IUPAC Name]
β-L-Xylopyranoside, (1α,3α,8α,9β,10α,13α,14β,17β,20β,22S,25S)-3-hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-α-D-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: 833.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.8±6.0 kJ/mol
Flash Point: 458.1±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 180.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 762.43
ACD/KOC (pH 5.5): 4024.19
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 762.42
ACD/KOC (pH 7.4): 4024.15
Polar Surface Area: 177 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 521.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement