Found 4 results

Search term: MF = 'C_{52}H_{90}O_{7}'
ChemSpider 2D Image | (3beta,22E)-Stigmasta-5,22-dien-3-yl 6-O-heptadecanoyl-beta-D-glucopyranoside | C52H90O7

(3β,22E)-Stigmasta-5,22-dien-3-yl 6-O-heptadecanoyl-β-D-glucopyranoside

  • Molecular FormulaC52H90O7
  • Average mass827.267 Da
  • Monoisotopic mass826.668640 Da
  • ChemSpider ID34227223

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,22E)-Stigmasta-5,22-dien-3-yl 6-O-heptadecanoyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22E)-Stigmasta-5,22-dien-3-yl-6-O-heptadecanoyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Heptadecanoyl-β-D-glucopyranoside de (3β,22E)-stigmasta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,22E)-stigmasta-5,22-dien-3-yl 6-O-(1-oxoheptadecyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 819.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.5±6.0 kJ/mol
Flash Point: 219.5±27.8 °C
Index of Refraction: 1.533
Molar Refractivity: 241.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 18.99
ACD/LogD (pH 5.5): 15.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 95.9±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 779.5±5.0 cm3

Click to predict properties on the Chemicalize site


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