ChemSpider 2D Image | (2R,3R,4R,5R)-1,6-Bis{[(2S)-2,3-dimethylbutanoyl]amino}-3,4-dihydroxy-1,6-dioxo-5-[4-(2H-thiophenium-3-yl)phenoxy]-2-hexanolate | C28H38N2O8S

(2R,3R,4R,5R)-1,6-Bis{[(2S)-2,3-dimethylbutanoyl]amino}-3,4-dihydroxy-1,6-dioxo-5-[4-(2H-thiophenium-3-yl)phenoxy]-2-hexanolate

  • Molecular FormulaC28H38N2O8S
  • Average mass562.675 Da
  • Monoisotopic mass562.234863 Da
  • ChemSpider ID23257008

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3R,4R,5R)-1,6-Bis{[(2S)-2,3-dimethylbutanoyl]amino}-3,4-dihydroxy-1,6-dioxo-5-[4-(2H-thiophenium-3-yl)phenoxy]-2-hexanolat [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-1,6-Bis{[(2S)-2,3-dimethylbutanoyl]amino}-3,4-dihydroxy-1,6-dioxo-5-[4-(2H-thiophenium-3-yl)phenoxy]-2-hexanolate [ACD/IUPAC Name]
(2R,3R,4R,5R)-1,6-Bis{[(2S)-2,3-diméthylbutanoyl]amino}-3,4-dihydroxy-1,6-dioxo-5-[4-(2H-thiophénium-3-yl)phénoxy]-2-hexanolate [French] [ACD/IUPAC Name]
CHEMBL365756
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL365756/

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#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: 165 Å2
Polarizability:
Surface Tension:
Molar Volume:

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