ChemSpider 2D Image | solanid-5-en-3-yl 6-deoxy-beta-L-mannopyranosyl-(1-2)-[beta-D-glucopyranosyl-(1-3)]-beta-D-galactopyranoside | C45H73NO15

solanid-5-en-3-yl 6-deoxy-β-L-mannopyranosyl-(1-2)-[β-D-glucopyranosyl-(1-3)]-β-D-galactopyranoside

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID5020632

  • defined stereocentres - 25 of 26 defined stereocentres

More details:

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

(2R,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-{[(4aR,4bS,6aS,6bR,7S,7aR,10S,12aS,13aS,13bS)-4a,6a,7,10-tetramethyl-2,3,4,4a,4b,5,6,6a,6b,7,7a,8,9,10,11,12a,13,13a,13b,14-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-2-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-6-methyltetrahydro-2H-pyran-3,4,5-triol
243-879-8 [EINECS]
6-Désoxy-β-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside de solanid-5-én-3-yle [French] [ACD/IUPAC Name]
Solanid-5-en-3-yl 6-deoxy-β-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside [ACD/IUPAC Name]
solanid-5-en-3-yl 6-deoxy-β-L-mannopyranosyl-(1-2)-[β-D-glucopyranosyl-(1-3)]-β-D-galactopyranoside
Solanid-5-en-3-yl-6-deoxy-β-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside
Solanid-5-en-3-yl-6-desoxy-β-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, solanid-5-en-3-yl O-6-deoxy-β-L-mannopyranosyl-(1->;2)-O-[β-D-glucopyranosyl-(1->3)]- [ACD/Index Name]
Gesamt-Solanin

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

NCGC00091441-01 [DBID]

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: 1.631
Molar Refractivity: 219.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.29
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.66
Polar Surface Area: 241 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 615.7±5.0 cm3

Click to predict properties on the Chemicalize site


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