ChemSpider 2D Image | Hordatine B | C29H40N8O5

Hordatine B

  • Molecular FormulaC29H40N8O5
  • Average mass580.679 Da
  • Monoisotopic mass580.312195 Da
  • ChemSpider ID30785512

  • 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

(2S,3S)-N-(4-Carbamimidamidobutyl)-5-{(1E)-3-[(4-carbamimidamidobutyl)amino]-3-oxo-1-propen-1-yl}-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamid [German] [ACD/IUPAC Name]
(2S,3S)-N-(4-Carbamimidamidobutyl)-5-{(1E)-3-[(4-carbamimidamidobutyl)amino]-3-oxo-1-propen-1-yl}-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide [ACD/IUPAC Name]
(2S,3S)-N-(4-Carbamimidamidobutyl)-5-{(1E)-3-[(4-carbamimidamidobutyl)amino]-3-oxo-1-propén-1-yl}-2-(4-hydroxyphényl)-7-méthoxy-2,3-dihydro-1-benzofurane-3-carboxamide [French] [ACD/IUPAC Name]
(2S,3S)-N-[4-[(Aminoiminomethyl)amino]butyl]-5-[(1E)-3-[[4-[(aminoiminomethyl)amino]butyl]amino]-3-oxo-1-propen-1-yl]-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-3-benzofurancarboxamide
10502-21-3 [RN]
3-Benzofurancarboxamide, N-[4-[(aminoiminomethyl)amino]butyl]-5-[(1E)-3-[[4-[(aminoiminomethyl)amino]butyl]amino]-3-oxo-1-propen-1-yl]-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-, (2S,3S)- [ACD/Index Name]
Hordatine B
(2S,3S)-N-(4-carbamimidamidobutyl)-5-{(1E)-3-[(4-carbamimidamidobutyl)amino]-3-oxoprop-1-en-1-yl}-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
3-Benzofurancarboxamide,N-[4-[(aminoiminomethyl)amino]butyl]-5-[(1E)-3-[[4-[(aminoiminomethyl)amino]butyl]amino]-3-oxo-1-propenyl]-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-,(2R,3R)-rel-(+)-
  • Miscellaneous

    • Chemical Class:

      A member of the class of benzofurans that is a heterodimer of feruloylagmatine and <ital>para</ital>-coumarylagmatine where the former's hydroxy group has reacted across the latter's ethene double bon d resulting in oxidative coupling to form a furan ring. ChEBI CHEBI:5763
      A member of the class of benzofurans that is a heterodimer of feruloylagmatine and para-coumarylagmatine where the former's hydroxy group has reacted across the latter's ethene double bon; d resulting in oxidative coupling to form a furan ring. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5763
      A member of the class of benzofurans that is a heterodimer of feruloylagmatine and para-coumarylagmatine where the former's hydroxy group has reacted across the latter's ethene double bond resulting i n oxidative coupling to form a furan ring. ChEBI CHEBI:5763

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 422.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement