Found 12 results

Search term: MF = 'C_{38}H_{54}O_{7}'
ChemSpider 2D Image | (2xi,5R)-2,4-Dideoxy-5-(1,2-dihydroxy-2-propanyl)-2-[(3S,6aS,6bR,8aS,9S,11bR,12R,13aR,13bR)-12-hydroxy-6a,8a,11b,13b-tetramethyl-3-phenyl-1,3,4,6,6a,6b,7,8,8a,9,10,11b,12,13,13a,13b-hexadecahydrocyclo penta[5,6]naphtho[1,2-h]isochromen-9-yl]-beta-L-threo-pentopyranose | C38H54O7

(2ξ,5R)-2,4-Dideoxy-5-(1,2-dihydroxy-2-propanyl)-2-[(3S,6aS,6bR,8aS,9S,11bR,12R,13aR,13bR)-12-hydroxy-6a,8a,11b,13b-tetramethyl-3-phenyl-1,3,4,6,6a,6b,7,8,8a,9,10,11b,12,13,13a,13b-hexadecahydrocyclo penta[5,6]naphtho[1,2-h]isochromen-9-yl]-β-L-threo-pentopyranose

  • Molecular FormulaC38H54O7
  • Average mass622.831 Da
  • Monoisotopic mass622.386963 Da
  • ChemSpider ID58826835

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(2ξ,5R)-2,4-Dideoxy-5-(1,2-dihydroxy-2-propanyl)-2-[(3S,6aS,6bR,8aS,9S,11bR,12R,13aR,13bR)-12-hydroxy-6a,8a,11b,13b-tetramethyl-3-phenyl-1,3,4,6,6a,6b,7,8,8a,9,10,11b,12,13,13a,13b-hexadecahydrocyclo penta[5,6]naphtho[1,2-h]isochromen-9-yl]-β-L-threo-pentopyranose [ACD/IUPAC Name]
(2ξ,5R)-2,4-Didesoxy-5-(1,2-dihydroxy-2-propanyl)-2-[(3S,6aS,6bR,8aS,9S,11bR,12R,13aR,13bR)-12-hydroxy-6a,8a,11b,13b-tetramethyl-3-phenyl-1,3,4,6,6a,6b,7,8,8a,9,10,11b,12,13,13a,13b-hexadecahydrocycl openta[5,6]naphtho[1,2-h]isochromen-9-yl]-β-L-threo-pentopyranose [German] [ACD/IUPAC Name]
(2ξ,5R)-2,4-Didésoxy-5-(1,2-dihydroxy-2-propanyl)-2-[(3S,6aS,6bR,8aS,9S,11bR,12R,13aR,13bR)-12-hydroxy-6a,8a,11b,13b-tétraméthyl-3-phényl-1,3,4,6,6a,6b,7,8,8a,9,10,11b,12,13,13a,13b-hexadécahydrocycl openta[5,6]naphto[1,2-h]isochromén-9-yl]-β-L-thréo-pentopyranose [French] [ACD/IUPAC Name]
β-L-arabino-Heptopyranose, 2,4,7-trideoxy-2-[(3S,6aS,6bR,8aS,9S,11bR,12R,13aR,13bR)-1,3,4,6,6a,6b,7,8,8a,9,10,11b,12,13,13a,13b-hexadecahydro-12-hydroxy-6a,8a,11b,13b-tetramethyl-3-phenylcyclopenta [7,8]phenanthro[1,2-c]pyran-9-yl]-6-C-(hydroxymethyl)- [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: 781.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.7±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 173.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2551.16
ACD/KOC (pH 5.5): 9552.98
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2551.15
ACD/KOC (pH 7.4): 9552.95
Polar Surface Area: 120 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 489.0±5.0 cm3

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