ChemSpider 2D Image | 6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-[2,2-bis(hydroxymethyl)-4-oxobutyl]-2-deoxyhexopyranoside | C42H70O12

6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-[2,2-bis(hydroxymethyl)-4-oxobutyl]-2-deoxyhexopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID2959084

More details:

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

2-[2,2-Bis(hydroxyméthyl)-4-oxobutyl]-2-désoxyhexopyranoside de 6,16,25-trihydroxy-20,24-époxy-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-[2,2-bis(hydroxymethyl)-4-oxobutyl]-2-deoxyhexopyranoside [ACD/IUPAC Name]
6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl-2-[2,2-bis(hydroxymethyl)-4-oxobutyl]-2-desoxyhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, 20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-[2,2-bis(hydroxymethyl)-4-oxobutyl]-2-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: 903.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.1±6.0 kJ/mol
Flash Point: 266.3±27.8 °C
Index of Refraction: 1.601
Molar Refractivity: 199.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.95
ACD/KOC (pH 5.5): 415.45
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.95
ACD/KOC (pH 7.4): 415.45
Polar Surface Area: 207 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 583.3±5.0 cm3

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