ChemSpider 2D Image | Alexa Fluor 647-castasteron | C71H108N5O19S4

Alexa Fluor 647-castasteron

  • Molecular FormulaC71H108N5O19S4
  • Average mass1463.899 Da
  • Monoisotopic mass1462.651611 Da
  • ChemSpider ID27473830

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(2α,3α,5α,6E,22R,23R,24S)-6-[(2-{[5-({6-[(2Z)-2-{(2E,4E)-5-[3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indolium-2-yl]-2,4-pentadien-1-yliden}-3-methyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro-
 1H-indol-3-yl]hexanoyl}amino)pentyl]amino}-2-oxoethoxy)imino]-2,3,22,23-tetrahydroxyergostan [German] [ACD/IUPAC Name]
(2α,3α,5α,6E,22R,23R,24S)-6-[(2-{[5-({6-[(2Z)-2-{(2E,4E)-5-[3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indolium-2-yl]-2,4-pentadien-1-ylidene}-3-methyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro
 -1H-indol-3-yl]hexanoyl}amino)pentyl]amino}-2-oxoethoxy)imino]-2,3,22,23-tetrahydroxyergostane [ACD/IUPAC Name]
(2α,3α,5α,6E,22R,23R,24S)-6-[(2-{[5-({6-[(2Z)-2-{(2E,4E)-5-[3,3-Diméthyl-5-sulfo-1-(3-sulfopropyl)-3H-indolium-2-yl]-2,4-pentadién-1-ylidène}-3-méthyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro
 -1H-indol-3-yl]hexanoyl}amino)pentyl]amino}-2-oxoéthoxy)imino]-2,3,22,23-tétrahydroxyergostane [French] [ACD/IUPAC Name]
Alexa Fluor 647-castasteron
Ergostane, 6-[[2-[[5-[[6-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indolium-2-yl]-2,4-pentadien-1-ylidene]-2,3-dihydro-3-methyl-5-sulfo-1-(3-sulfopropyl)-1H-indol-3-yl]-1-oxohexyl] ;amino]pentyl]amino]-2-oxoethoxy]imino]-2,3,22,23-tetrahydroxy-, (2α,3α,5α,6E,22R,23R,24S)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 33
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 418 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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