ChemSpider 2D Image | (Z)-{(2R)-2-Benzyl-2-[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-2-methyldiazan-2-ium-1-ylidene}(phenyl)methanolate | C30H37N3O4

(Z)-{(2R)-2-Benzyl-2-[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-2-methyldiazan-2-ium-1-ylidene}(phenyl)methanolate

  • Molecular FormulaC30H37N3O4
  • Average mass503.633 Da
  • Monoisotopic mass503.278412 Da
  • ChemSpider ID8024679

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(Z)-{(2R)-2-Benzyl-2-[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-2-methyldiazan-2-ium-1-yliden}(phenyl)methanolat [German] [ACD/IUPAC Name]
(Z)-{(2R)-2-Benzyl-2-[(2S,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-2-methyldiazan-2-ium-1-ylidene}(phenyl)methanolate [ACD/IUPAC Name]
(Z)-{(2R)-2-Benzyl-2-[(2S,3S)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]-2-méthyldiazan-2-ium-1-ylidène}(phényl)méthanolate [French] [ACD/IUPAC Name]
Diazanium, 1-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-(hydroxyphenylmethylene)-1-methyl-1-(phenylmethyl)-, inner salt, (1R,2Z)- [ACD/Index Name]

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

Density:
Boiling Point:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#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: 94 Å2
Polarizability:
Surface Tension:
Molar Volume:

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