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Search term: NC[C@H](NC(=O)[C@@H](O)CNC(=O)C[C@H](N)c1ccc(O)cc1)C(=O)N[C@H](CCC[C@H](N)[C@H](O)CC(=O)NCC(=O)NCCCNCCCCC(N)=N)C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | Edeine B | C34H59N11O10

Edeine B

  • Molecular FormulaC34H59N11O10
  • Average mass781.900 Da
  • Monoisotopic mass781.444641 Da
  • ChemSpider ID393644

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,6S,7R)-6-Amino-2-({3-amino-N-[(2S)-3-{[(3S)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino}-2-hydroxypropanoyl]-L-alanyl}amino)-9-({2-[(3-{[(5Z)-5-amino-5-iminopentyl]amino}propyl)amino]-2-oxoethyl}am ino)-7-hydroxy-9-oxononanoic acid [ACD/IUPAC Name]
(2R,6S,7R)-6-Amino-2-({3-amino-N-[(2S)-3-{[(3S)-3-amino-3-(4-hydroxyphenyl)propanoyl]amino}-2-hydroxypropanoyl]-L-alanyl}amino)-9-({2-[(3-{[(5Z)-5-amino-5-iminopentyl]amino}propyl)amino]-2-oxoethyl}am ino)-7-hydroxy-9-oxononansäure [German] [ACD/IUPAC Name]
Acide (2R,6S,7R)-6-amino-2-({3-amino-N-[(2S)-3-{[(3S)-3-amino-3-(4-hydroxyphényl)propanoyl]amino}-2-hydroxypropanoyl]-L-alanyl}amino)-9-({2-[(3-{[(5Z)-5-amino-5-iminopentyl]amino}propyl)amino]-2-oxoét hyl}amino)-7-hydroxy-9-oxononanoïque [French] [ACD/IUPAC Name]
Edeine B
Nonanoic acid, 6-amino-2-[[(2S)-3-amino-2-[[(2S)-3-[[(3S)-3-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-9-[[2-[[3-[[(5Z)-5-amino-5-iminopentyl]amino]pr opyl]amino]-2-oxoethyl]amino]-7-hydroxy-9-oxo-, (2R,6S,7R)- [ACD/Index Name]
EDE

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 193.1±0.5 cm3
#H bond acceptors: 21
#H bond donors: 19
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -4.39
ACD/LogD (pH 5.5): -11.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 534.4±7.0 cm3

Click to predict properties on the Chemicalize site


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