ChemSpider 2D Image | (1R,4S,4aS,8aS)-4-Hydroxy-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenyl 2-O-acetyl-6-deoxy-3-O-[(2Z)-2-methyl-2-butenoyl]-beta-L-altropyranoside | C28H44O8

(1R,4S,4aS,8aS)-4-Hydroxy-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenyl 2-O-acetyl-6-deoxy-3-O-[(2Z)-2-methyl-2-butenoyl]-β-L-altropyranoside

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID62317727

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,4S,4aS,8aS)-4-Hydroxy-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenyl 2-O-acetyl-6-deoxy-3-O-[(2Z)-2-methyl-2-butenoyl]-β-L-altropyranoside [ACD/IUPAC Name]
(1R,4S,4aS,8aS)-4-Hydroxy-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalinyl-2-O-acetyl-6-desoxy-3-O-[(2Z)-2-methyl-2-butenoyl]-β-L-altropyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-6-désoxy-3-O-[(2Z)-2-méthyl-2-butenoyl]-β-L-altropyranoside de (1R,4S,4aS,8aS)-4-hydroxy-7-isopropyl-1,4a-diméthyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphtalényle [French] [ACD/IUPAC Name]
β-L-Altropyranoside, (1R,4S,4aS,8aS)-1,2,3,4,4a,5,8,8a-octahydro-4-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenyl 6-deoxy-3-O-[(2Z)-2-methyl-1-oxo-2-buten-1-yl]-, 2-acetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 180.7±23.6 °C
Index of Refraction: 1.533
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14707.49
ACD/KOC (pH 5.5): 33474.34
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14707.41
ACD/KOC (pH 7.4): 33474.16
Polar Surface Area: 112 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 435.0±5.0 cm3

Click to predict properties on the Chemicalize site


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