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Search term: 8616325 (Found by CSID)
ChemSpider 2D Image | CSID:8616325 | C45H76N8O14

  • Molecular FormulaC45H76N8O14
  • Average mass953.130 Da
  • Monoisotopic mass952.548096 Da
  • ChemSpider ID8616325

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2S)-2-{(2R,5R,6R)-6-Ethyl-2-hydroxy-5-[(2S)-2-methylbutyl]tetrahydro-2H-pyran-2-yl}-2-hydroxy-N-[(4aR,9R,9aS,12S,15S,16S,22aR,25R)-9,11,24-trihydroxy-12,15-diisopropyl-9,25-dimethyl-5,10,13,17,23,26- hexaoxotetracosahydro-15H,19H-dipyridazino[6,1-i:6',1'-o]pyrrolo[2,1-f][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl]propanamid [German] [ACD/IUPAC Name]
(2S)-2-{(2R,5R,6R)-6-Éthyl-2-hydroxy-5-[(2S)-2-méthylbutyl]tétrahydro-2H-pyran-2-yl}-2-hydroxy-N-[(4aR,9R,9aS,12S,15S,16S,22aR,25R)-9,11,24-trihydroxy-12,15-diisopropyl-9,25-diméthyl-5,10,13,17,23,26- hexaoxotétracosahydro-15H,19H-dipyridazino[6,1-i:6',1'-o]pyrrolo[2,1-f][1,4,7,10,13,16]oxapentaazacyclononadécin-16-yl]propanamide [French] [ACD/IUPAC Name]
Polyoxypeptin B

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: 1.607
Molar Refractivity: 242.3±0.4 cm3
#H bond acceptors: 22
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.45
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.59
Polar Surface Area: 291 Å2
Polarizability: 96.1±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 701.9±5.0 cm3

Click to predict properties on the Chemicalize site


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