Found 1 result

Search term: LRHLULGPZSFCCN-VOTIHEBESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Spumigin A | C31H44N6O7

Spumigin A

  • Molecular FormulaC31H44N6O7
  • Average mass612.717 Da
  • Monoisotopic mass612.327148 Da
  • ChemSpider ID28646426

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S)-N-[(2S)-5-Carbamimidamido-1-hydroxy-2-pentanyl]-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino}-4-(4-hydroxyphenyl)butanoyl]-4-methyl-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-N-[(2S)-5-Carbamimidamido-1-hydroxy-2-pentanyl]-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino}-4-(4-hydroxyphenyl)butanoyl]-4-methyl-L-prolinamide [ACD/IUPAC Name]
(4S)-N-[(2S)-5-Carbamimidamido-1-hydroxy-2-pentanyl]-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphényl)propanoyl]amino}-4-(4-hydroxyphényl)butanoyl]-4-méthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-(hydroxymethyl)butyl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(4-hydroxyphenyl)-1-oxobutyl]-4-methyl-, (2S,4 S)- [ACD/Index Name]
Spumigin A

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: 1.643
Molar Refractivity: 160.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 443.6±7.0 cm3

Click to predict properties on the Chemicalize site


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