ChemSpider 2D Image | Solanine | C45H73NO15

Solanine

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID7828094
  • defined stereocentres - 26 of 26 defined stereocentres


More details:






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

(3β)-Solanid-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside [ACD/IUPAC Name]
(3β)-Solanid-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->;2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
20562-02-1 [RN]
243-879-8 [EINECS]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside de (3β)-solanid-5-én-3-yle [French] [ACD/IUPAC Name]
77607
MFCD00077873
Solanine [Wiki]
WF0250000
α-SOLANINE
More...

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

85472_FLUKA [DBID]
MLS000517299 [DBID]
S3757_SIGMA [DBID]
SMR000127418 [DBID]
  • Miscellaneous
    • Chemical Class:

      A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (<ital>Solanum tuberosum</ital>). It is a trisccharide derivative of solanidine [(22<stereo>beta</ster eo>)-solanid-5-en-3<stereo>beta</stereo>-ol]. ChEBI CHEBI:9188
      A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol]. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9188

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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