Found 46 results

Search term: MF = 'C_{21}H_{38}O_{8}'
ChemSpider 2D Image | 2-[(2R,4aR,5R,8R)-5,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl beta-D-glucopyranoside | C21H38O8

2-[(2R,4aR,5R,8R)-5,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl β-D-glucopyranoside

  • Molecular FormulaC21H38O8
  • Average mass418.522 Da
  • Monoisotopic mass418.256653 Da
  • ChemSpider ID114928773

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

2-[(2R,4aR,5R,8R)-5,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]-2-propanyl β-D-glucopyranoside [ACD/IUPAC Name]
2-[(2R,4aR,5R,8R)-5,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalinyl]-2-propanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 2-[(2R,4aR,5R,8R)-5,8-dihydroxy-4a,8-diméthyldécahydro-2-naphtalényl]-2-propanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1-[(2R,4aR,5R,8R)-decahydro-5,8-dihydroxy-4a,8-dimethyl-2-naphthalenyl]-1-methylethyl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5R,8R)-5,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Compound NP-024574

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.31
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.81
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.81
Polar Surface Area: 140 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 319.7±5.0 cm3

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