ChemSpider 2D Image | N~3~-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[(E)-2-sulfanylvinyl]-beta-alaninamide | C11H21N2O7PS

N3-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[(E)-2-sulfanylvinyl]-β-alaninamide

  • Molecular FormulaC11H21N2O7PS
  • Average mass356.332 Da
  • Monoisotopic mass356.080719 Da
  • ChemSpider ID61714161

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, 2-hydroxy-N-[3-[[(E)-2-mercaptoethenyl]amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)-, (2R)- [ACD/Index Name]
N3-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[(E)-2-sulfanylvinyl]-β-alaninamid [German] [ACD/IUPAC Name]
N3-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[(E)-2-sulfanylvinyl]-β-alaninamide [ACD/IUPAC Name]
N3-[(2R)-2-Hydroxy-3,3-diméthyl-4-(phosphonooxy)butanoyl]-N-[(E)-2-sulfanylvinyl]-β-alaninamide [French] [ACD/IUPAC Name]
4'-Phosphopantetheine
PNS

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: 1.556
Molar Refractivity: 81.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 253.1±3.0 cm3

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