Found 10 results

Search term: MF = 'C_{42}H_{66}O_{11}'
ChemSpider 2D Image | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-{6-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-5-yl}-D-galactitol | C42H66O11

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-{6-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-5-yl}-D-galactitol

  • Molecular FormulaC42H66O11
  • Average mass746.967 Da
  • Monoisotopic mass746.460510 Da
  • ChemSpider ID26590149

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-{6-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-5-yl}-D-galactitol [German] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-{6-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-5-yl}-D-galactitol [ACD/IUPAC Name]
(1S)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-{6-hydroxy-2,7,8-triméthyl-2-[(4R,8R)-4,8,12-triméthyltridécyl]-3,4-dihydro-2H-chromén-5-yl}-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 1,5-anhydro-1-C-[3,4-dihydro-6-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-5-yl]-, tetraacetate, (1S)- [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: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 197.7±26.4 °C
Index of Refraction: 1.524
Molar Refractivity: 201.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 12.29
ACD/LogD (pH 5.5): 10.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 659.0±5.0 cm3

Click to predict properties on the Chemicalize site


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