ChemSpider 2D Image | Butrin | C27H32O15

Butrin

  • Molecular FormulaC27H32O15
  • Average mass596.534 Da
  • Monoisotopic mass596.174133 Da
  • ChemSpider ID144321
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2S)-2-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]-4-oxo-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]-4-oxo-3,4-dihydro-2H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-(3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl)-2,3-dihydro-, (S)-
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2,3-dihydro-, (2S)- [ACD/Index Name]
Butrin
β-D-Glucopyranoside de (2S)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphényl]-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(2S)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl β-D-glucopyranoside
492-13-7 [RN]
7,3',4'-Trihydroxyflavanone-7,3'-diglucoside
Butin 7,3'-di-O-glucoside

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

C09616 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 947.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.5±3.0 kJ/mol
Flash Point: 314.0±27.8 °C
Index of Refraction: 1.691
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 245 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 93.2±3.0 dyne/cm
Molar Volume: 360.6±3.0 cm3

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