ChemSpider 2D Image | .alpha.-Solanine | C45H73NO15

α-Solanine

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID28033
  • defined stereocentres - 26 of 26 defined stereocentres


More details:






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

α-Solanine
(2R,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-{[(2S,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
(2R,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxyméthyl)-2-{[(2S,4aR,4bS,6aS,6bR,7S,7aR,10S,12aS,13aS,13bS)-4a,6a,7,10-tétraméthyl-2,3,4,4a,4b,5,6,6a,6b,7,7a,8,9,10,11,12a,13,13a,13b,14-icosahydro-1H-naphto[2',1':4,5]indéno[1,2-b]indolizin-2-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-3-yl]oxy}-6-méthyltétrahydro-2H-pyran-3,4,5-triol
(3β)-Solanid-5-en-3-yl 6-deoxy-β-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside [ACD/IUPAC Name]
(3β)-Solanid-5-en-3-yl-6-deoxy-β-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside
(3β)-Solanid-5-en-3-yl-6-desoxy-β-L-mannopyranosyl-(1->;2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside de (3β)-solanid-5-én-3-yle [French] [ACD/IUPAC Name]
a-Solanine
Solanine [Wiki]
Solatunine
More...

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

BRN 0077607 [DBID]
CCRIS 6507 [DBID]
HSDB 3539 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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