ChemSpider 2D Image | (3beta,25R)-17-Hydroxyspirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside | C44H70O17

(3β,25R)-17-Hydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside

  • Molecular FormulaC44H70O17
  • Average mass871.016 Da
  • Monoisotopic mass870.461304 Da
  • ChemSpider ID57620828
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






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

(3β,25R)-17-Hydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-17-Hydroxyspirost-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,25R)-17-hydroxyspirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->4)]- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1029017-75-1 [RN]
17-Hydroxy sprengerinin C
84914-58-9 [RN]
pennogenin 3-O-α-L-rhamnopyranosyl-(1?2)-[β-D-xylopyranosyl-(1?4)]-β-D-glucopyranoside

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: 1.628
Molar Refractivity: 214.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1373.61
ACD/KOC (pH 5.5): 6129.19
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1373.60
ACD/KOC (pH 7.4): 6129.16
Polar Surface Area: 256 Å2
Polarizability: 85.0±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 604.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement