ChemSpider 2D Image | YK-11 | C25H34O6

YK-11

  • Molecular FormulaC25H34O6
  • Average mass430.534 Da
  • Monoisotopic mass430.235535 Da
  • ChemSpider ID52085570
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres


More details:






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

1370003-76-1 [RN]
19-Norpregna-4,20-diene-21-carboxylic acid, 17,20-[(1-methoxyethylidene)bis(oxy)]-3-oxo-, methyl ester, (17α,20E)-
Acetic acid, 2-[(8R,9S,10R,13S,14S,17S)-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2'-methoxy-2',13-dimethyl-3-oxospiro[17H-cyclopenta[a]phenanthrene-17,4'-[1,3]dioxolan]-5'-ylidene]-, methyl e ster, (2E)- [ACD/Index Name]
Methyl (2E)-[(8R,9S,10R,13S,14S,17S)-2'-methoxy-2',13-dimethyl-3-oxo-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxolan]-5'-ylidene]acetate [ACD/IUPAC Name]
UNII:Z9748J6B0R
YK-11
Z9748J6B0R
(17?,?20E)?-17,?20-?[(1-?methoxyethylidene)?bis(oxy)?]?-?3-?oxo-19-?Norpregna-?4,?20-?diene-?21-?carboxylic acid?, methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 242.5±30.2 °C
Index of Refraction: 1.561
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 160.35
ACD/KOC (pH 5.5): 1318.25
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.35
ACD/KOC (pH 7.4): 1318.25
Polar Surface Area: 71 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 352.5±5.0 cm3

Click to predict properties on the Chemicalize site






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