ChemSpider 2D Image | (5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 2-deoxy-2-(dimethylamino)-4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside | C31H37NO12

(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 2-deoxy-2-(dimethylamino)-4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside

  • Molecular FormulaC31H37NO12
  • Average mass615.625 Da
  • Monoisotopic mass615.231567 Da
  • ChemSpider ID5293206

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 2-deoxy-2-(dimethylamino)-4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside [ACD/IUPAC Name]
(5S,5aR,8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-2-desoxy-2-(dimethylamino)-4,6-O-[(1R)-ethyliden]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
105655-99-0 [RN]
2-Désoxy-2-(diméthylamino)-4,6-O-[(1R)-éthylidène]-β-D-glucopyranoside de (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-diméthoxyphényl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yl e [French] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[2-deoxy-2-(dimethylamino)-4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8a R,9S)- [ACD/Index Name]
(5R-(5α,5aβ,8aα,9β))-9-((2-Deoxy-2-(dimethylamino)-4,6-O-ethylidene-β-D-glucopyrano
(5S,5Ar,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7-(dimethylamino)-8-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

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

NK-611 [DBID]

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

Density: 1.5±0.0 g/cm3
Boiling Point: 786.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±0.0 kJ/mol
Flash Point: 429.7±0.0 °C
Index of Refraction: 1.643
Molar Refractivity: 151.7±0.0 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.19
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 17.49
ACD/KOC (pH 7.4): 243.62
Polar Surface Area: 144 Å2
Polarizability: 60.1±0.0 10-24cm3
Surface Tension: 68.9±0.0 dyne/cm
Molar Volume: 419.6±0.0 cm3

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