ChemSpider 2D Image | (9beta,20xi)-1-[(6-Deoxyhexopyranosyl)oxy]spirost-5-en-3-yl 6-deoxyhexopyranoside | C39H62O12

(9β,20ξ)-1-[(6-Deoxyhexopyranosyl)oxy]spirost-5-en-3-yl 6-deoxyhexopyranoside

  • Molecular FormulaC39H62O12
  • Average mass722.902 Da
  • Monoisotopic mass722.424133 Da
  • ChemSpider ID78431627

  • defined stereocentres - 8 of 22 defined stereocentres

More details:

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

(9β,20ξ)-1-[(6-Deoxyhexopyranosyl)oxy]spirost-5-en-3-yl 6-deoxyhexopyranoside [ACD/IUPAC Name]
(9β,20ξ)-1-[(6-Desoxyhexopyranosyl)oxy]spirost-5-en-3-yl-6-desoxyhexopyranosid [German] [ACD/IUPAC Name]
6-Désoxyhexopyranoside de (9β,20ξ)-1-[(6-désoxyhexopyranosyl)oxy]spirost-5-én-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (9β,20ξ)-1-[(6-deoxyhexopyranosyl)oxy]spirost-5-en-3-yl 6-deoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 823.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.2±6.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 185.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1105.20
ACD/KOC (pH 5.5): 5249.21
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1105.19
ACD/KOC (pH 7.4): 5249.15
Polar Surface Area: 177 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 538.4±5.0 cm3

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