Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | (1'R,2S,3'R,6'S,8'R,12'Z,17'R,18'Z,20'Z,24'R,25'S)-17'-[(1R)-1-Hydroxyethyl]-5',13',25'-trimethyl-11',22'-dioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,1 8,20]tetraen]-6'-yl acetate | C31H40O10

(1'R,2S,3'R,6'S,8'R,12'Z,17'R,18'Z,20'Z,24'R,25'S)-17'-[(1R)-1-Hydroxyethyl]-5',13',25'-trimethyl-11',22'-dioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,1 8,20]tetraen]-6'-yl acetate

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID8229364

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1'R,2S,3'R,6'S,8'R,12'Z,17'R,18'Z,20'Z,24'R,25'S)-17'-[(1R)-1-Hydroxyethyl]-5',13',25'-trimethyl-11',22'-dioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,1
 8,20]tetraen]-6'-yl acetate [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 771.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 248.4±26.4 °C
Index of Refraction: 1.577
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.38
ACD/KOC (pH 5.5): 362.21
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.38
ACD/KOC (pH 7.4): 362.21
Polar Surface Area: 130 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 442.8±5.0 cm3

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