ChemSpider 2D Image | 2-[(2Z,5Z,7Z,9R,10R,11Z)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-beta-D-talopyranoside | C31H47NO8

2-[(2Z,5Z,7Z,9R,10R,11Z)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-β-D-talopyranoside

  • Molecular FormulaC31H47NO8
  • Average mass561.707 Da
  • Monoisotopic mass561.330139 Da
  • ChemSpider ID4943797

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-[(2Z,5Z,7Z,9R,10R,11Z)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-β-D-talopyranoside [ACD/IUPAC Name]
2-[(2Z,5Z,7Z,9R,10R,11Z)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl-6-desoxy-β-D-talopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-talopyranoside de 2-[(2Z,5Z,7Z,9R,10R,11Z)-10-hydroxy-3,7,9,11-tétraméthyl-2,5,7,11-tridécatétraén-1-yl]-5,6-diméthoxy-3-méthyl-4-pyridinyle [French] [ACD/IUPAC Name]
β-D-Talopyranoside, 2-[(2Z,5Z,7Z,9R,10R,11Z)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy- [ACD/Index Name]
134876-72-5 [RN]
3/'-deoxytalopiericidin A1
3'-Deoxytalopiericidin A1
3-Dtp-A1
Talopiericidin A1, 3'-deoxy
β-D-Talopyranoside, 2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-, (R-(R*,R*-(all-E)))-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.7±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 101.89
ACD/KOC (pH 5.5): 776.17
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.93
ACD/KOC (pH 7.4): 1576.27
Polar Surface Area: 131 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 488.0±3.0 cm3

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