ChemSpider 2D Image | (E,2S,3R)-phytonadione epoxide | C31H46O3

(E,2S,3R)-phytonadione epoxide

  • Molecular FormulaC31H46O3
  • Average mass466.695 Da
  • Monoisotopic mass466.344696 Da
  • ChemSpider ID34993195
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1aS,7aR)-1a-Methyl-7a-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxiren-2,7-dion [German] [ACD/IUPAC Name]
(1aS,7aR)-1a-Methyl-7a-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione [ACD/IUPAC Name]
(1aS,7aR)-1a-Méthyl-7a-[(2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yl]-1a,7a-dihydronaphto[2,3-b]oxirène-2,7-dione [French] [ACD/IUPAC Name]
(E,2S,3R)-phytonadione epoxide
85955-78-8 [RN]
Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-, (1aS,7aR)- [ACD/Index Name]
247-022-9 [EINECS]
25486-55-9 [RN]
PHYTONADIONE EPOXIDE
PHYTONADIONE EPOXIDE, (E,2S,3R)-
More...

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

Q6K17X9Y3V [DBID]
UNII:Q6K17X9Y3V [DBID]
UNII-Q6K17X9Y3V [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 561.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 233.8±30.2 °C
Index of Refraction: 1.523
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 11.33
ACD/LogD (pH 5.5): 9.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3991746.00
ACD/LogD (pH 7.4): 9.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3991746.00
Polar Surface Area: 47 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 457.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement