ChemSpider 2D Image | Orobanchoside | C29H36O16

Orobanchoside

  • Molecular FormulaC29H36O16
  • Average mass640.586 Da
  • Monoisotopic mass640.200317 Da
  • ChemSpider ID4445098
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2S)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl 2-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl-2-O-(6-desoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de (2S)-2-(3,4-dihydroxyphényl)-2-hydroxyéthyle [French] [ACD/IUPAC Name]
Orobanchoside
β-D-Glucopyranoside, (2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl 2-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
61276-16-2 [RN]
CRENATOSIDE (ORAPOSIDE)

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

C10481 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 965.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.3±3.0 kJ/mol
Flash Point: 312.6±27.8 °C
Index of Refraction: 1.704
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.48
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.13
Polar Surface Area: 266 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 104.3±5.0 dyne/cm
Molar Volume: 386.4±5.0 cm3

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