Found 1 result

Search term: SMVONLFCHHISHK-KRSGOESDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Difluoro{N-(8-{[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]amino}octyl)-6-[({4-[(E)-2-(5-{[5-(2-thienyl)-2H-pyrrol-2-ylidene-kappaN]methyl}-1H-pyrrol-2-yl-kappaN)vinyl]phenoxy}acetyl)amino]hexanamidato}bo ron | C50H58BF2N5O5S

Difluoro{N-(8-{[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]amino}octyl)-6-[({4-[(E)-2-(5-{[5-(2-thienyl)-2H-pyrrol-2-ylidene-κN]methyl}-1H-pyrrol-2-yl-κN)vinyl]phenoxy}acetyl)amino]hexanamidato}bo ron

  • Molecular FormulaC50H58BF2N5O5S
  • Average mass889.899 Da
  • Monoisotopic mass889.421997 Da
  • ChemSpider ID26612264

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Boron, difluoro[N-[8-[[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]octyl]-6-[[2-[4-[(E)-2-[5-[[5-(2-thienyl)-2H-pyrrol-2-ylidene-κN]methyl]-1H-pyrrol-2-yl-κN]ethenyl]phenoxy]acetyl]amino] hexanamidato]- [ACD/Index Name]
Difluor{N-(8-{[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]amino}octyl)-6-[({4-[(E)-2-(5-{[5-(2-thienyl)-2H-pyrrol-2-yliden-κN]methyl}-1H-pyrrol-2-yl-κN)vinyl]phenoxy}acetyl)amino]hexanamidato}bor [German] [ACD/IUPAC Name]
Difluoro{N-(8-{[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]amino}octyl)-6-[({4-[(E)-2-(5-{[5-(2-thienyl)-2H-pyrrol-2-ylidene-κN]methyl}-1H-pyrrol-2-yl-κN)vinyl]phenoxy}acetyl)amino]hexanamidato}bo ron [ACD/IUPAC Name]
Difluoro{N-(8-{[(2S)-2-hydroxy-3-(1-naphtyloxy)propyl]amino}octyl)-6-[(2-{4-[(E)-2-(5-{[5-(2-thiényl)-2H-pyrrol-2-ylidène-κN]méthyl}-1H-pyrrol-2-yl-κN)vinyl]phénoxy}acétyl)amino]hexanamidato}b ore [French] [ACD/IUPAC 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: 10
#H bond donors: 4
#Freely Rotating Bonds: 26
#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: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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