ChemSpider 2D Image | UNDULATONE | C27H34O11

UNDULATONE

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID4444691

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,6α,11β,12α,15β)-15-Acetoxy-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-6-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(1β,6α,11β,12α,15β)-15-Acetoxy-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-6-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1β,6α,11β,12α,15β)-15-acétoxy-1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicras-3-én-6-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (1β,6α,11β,12α,15β)-15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicras-3-en-6-yl ester, (2E)- [ACD/Index Name]
70993-77-0 [RN]
UNDULATONE
NSC-267709

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

C08787 [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: 717.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 237.0±26.4 °C
Index of Refraction: 1.603
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.03
ACD/KOC (pH 5.5): 77.02
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 77.01
Polar Surface Area: 166 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

Click to predict properties on the Chemicalize site


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