Found 29 results

Search term: MF = 'C_{34}H_{48}O_{12}'
ChemSpider 2D Image | 2-Heptyl-4-({2-heptyl-6-[(4xi)-beta-D-xylo-hexofuranosyloxy]-4-hydroxybenzoyl}oxy)-6-hydroxybenzoic acid | C34H48O12

2-Heptyl-4-({2-heptyl-6-[(4ξ)-β-D-xylo-hexofuranosyloxy]-4-hydroxybenzoyl}oxy)-6-hydroxybenzoic acid

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID114483

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-Heptyl-4-({2-heptyl-6-[(4ξ)-β-D-xylo-hexofuranosyloxy]-4-hydroxybenzoyl}oxy)-6-hydroxybenzoesäure [German] [ACD/IUPAC Name]
2-Heptyl-4-({2-heptyl-6-[(4ξ)-β-D-xylo-hexofuranosyloxy]-4-hydroxybenzoyl}oxy)-6-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 2-heptyl-4-({2-heptyl-6-[(4ξ)-β-D-xylo-hexofuranosyloxy]-4-hydroxybenzoyl}oxy)-6-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-heptyl-4-[[2-heptyl-6-[(4ξ)-β-D-xylo-hexofuranosyloxy]-4-hydroxybenzoyl]oxy]-6-hydroxy- [ACD/Index Name]
120634-85-7 [RN]
4-(2-{[(2S,3R,4R)-5-[(1R)-1,2-DIHYDROXYETHYL]-3,4-DIHYDROXYOXOLAN-2-YL]OXY}-6-HEPTYL-4-HYDROXYBENZOYLOXY)-2-HEPTYL-6-HYDROXYBENZOIC ACID
Benzoic acid, 2-(β-D-galactofuranosyloxy)-6-heptyl-4-hydroxy-, 4-carboxy-3-heptyl-5-hydroxyphenyl ester [ACD/Index Name]

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

KS 502 [DBID]
KS-502 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 893.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.0±3.0 kJ/mol
Flash Point: 278.6±27.8 °C
Index of Refraction: 1.598
Molar Refractivity: 169.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 232.50
ACD/KOC (pH 5.5): 237.20
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 116.89
ACD/KOC (pH 7.4): 119.25
Polar Surface Area: 203 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 497.3±3.0 cm3

Click to predict properties on the Chemicalize site


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