ChemSpider 2D Image | bound formphytochromobilin | C33H40N4O6

bound formphytochromobilin

  • Molecular FormulaC33H40N4O6
  • Average mass588.694 Da
  • Monoisotopic mass588.294800 Da
  • ChemSpider ID35034962

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

bound formphytochromobilin
3-[2-[[5-[(4-Ethenyl-3-Methyl-5-Oxidanylidene-Pyrrol-2-Yl)methyl]-3-(3-Hydroxy-3-Oxopropyl)-4-Methyl-1{h}-Pyrrol-2-Yl]methyl]-5-[[(3{r},4{r})-3-Ethyl-4-Methyl-5-Oxidanylidene-3,4-Dihydropyrrol-2-Yl]methyl]-4-Methyl-1{h}-Pyrrol-3-Yl]propanoic Acid
9V1 [WLN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 160.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 9.88
ACD/KOC (pH 5.5): 54.24
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 446.0±7.0 cm3

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