ChemSpider 2D Image | ?-CHACONINE | C39H63NO10

?-CHACONINE

  • Molecular FormulaC39H63NO10
  • Average mass705.918 Da
  • Monoisotopic mass705.445190 Da
  • ChemSpider ID10181229

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β)-Solanid-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-Solanid-5-en-3-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
?-CHACONINE
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β)-solanid-5-én-3-yle [French] [ACD/IUPAC Name]
472-51-5 [RN]
b-Chaconine
β-D-Glucopyranoside, (3β)-solanid-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
11017-45-1 [RN]
125-97-3 [RN]
20562-02-1 [RN]
More...

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

KC739QQ6OP [DBID]
BRN 0077607 [DBID]
CCRIS 6507 [DBID]
HSDB 3539 [DBID]
UNII:KC739QQ6OP [DBID]
UNII-KC739QQ6OP [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 817.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.3±6.0 kJ/mol
Flash Point: 448.3±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 185.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 33.69
ACD/KOC (pH 5.5): 56.76
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 36.54
ACD/KOC (pH 7.4): 61.56
Polar Surface Area: 162 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 532.4±5.0 cm3

Click to predict properties on the Chemicalize site


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