Found 28 results

Search term: MF = 'C_{33}H_{50}O_{11}'
ChemSpider 2D Image | (1beta,2alpha,3beta,12beta,16xi,17xi)-1,2,12-Trihydroxyspirosta-5,25(27)-dien-3-yl beta-D-galactopyranoside | C33H50O11

(1β,2α,3β,12β,16ξ,17ξ)-1,2,12-Trihydroxyspirosta-5,25(27)-dien-3-yl β-D-galactopyranoside

  • Molecular FormulaC33H50O11
  • Average mass622.744 Da
  • Monoisotopic mass622.335327 Da
  • ChemSpider ID8945517

  • defined stereocentres - 16 of 18 defined stereocentres

More details:

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

(1β,2α,3β,12β,16ξ,17ξ)-1,2,12-Trihydroxyspirosta-5,25(27)-dien-3-yl β-D-galactopyranoside [ACD/IUPAC Name]
(1β,2α,3β,12β,16ξ,17ξ)-1,2,12-Trihydroxyspirosta-5,25(27)-dien-3-yl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside de (1β,2α,3β,12β,16ξ,17ξ)-1,2,12-trihydroxyspirosta-5,25(27)-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (1β,2α,3β,12β,16ξ,17ξ)-1,2,12-trihydroxyspirosta-5,25(27)-dien-3-yl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 791.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±6.0 kJ/mol
Flash Point: 432.2±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.20
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.20
Polar Surface Area: 179 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 439.2±5.0 cm3

Click to predict properties on the Chemicalize site


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