ChemSpider 2D Image | Raloxifene 6-Glucuronide | C34H35NO10S

Raloxifene 6-Glucuronide

  • Molecular FormulaC34H35NO10S
  • Average mass649.707 Da
  • Monoisotopic mass649.198181 Da
  • ChemSpider ID8276285

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

174264-50-7 [RN]
2-(4-Hydroxyphenyl)-3-{4-[2-(1-piperidinyl)ethoxy]benzoyl}-1-benzothiophen-6-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)-3-{4-[2-(1-piperidinyl)ethoxy]benzoyl}-1-benzothiophen-6-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-yl β-D-glucopyranosiduronic acid
Acide β-D-glucopyranosiduronique de 2-(4-hydroxyphényl)-3-{4-[2-(1-pipéridinyl)éthoxy]benzoyl}-1-benzothiophén-6-yle [French] [ACD/IUPAC Name]
Methanone, [6-(β-D-glucopyranuronosyloxy)-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]- [ACD/Index Name]
Raloxifene 6-Glucuronide
Raloxifene-6-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{2-(4-hydroxy-phenyl)-3-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-benzo[b]thiophen-6-yloxy}-tetrahydro-pyran-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

446O3AY2S7 [DBID]
UNII:446O3AY2S7 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 939.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.2±3.0 kJ/mol
Flash Point: 522.1±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 170.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.83
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.46
Polar Surface Area: 194 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 449.7±3.0 cm3

Click to predict properties on the Chemicalize site


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