ChemSpider 2D Image | N~2~-Acetyl-3-(nitrososulfanyl)-N-[2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]-D-valinamide | C14H25N3O7S

N2-Acetyl-3-(nitrososulfanyl)-N-[2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]-D-valinamide

  • Molecular FormulaC14H25N3O7S
  • Average mass379.429 Da
  • Monoisotopic mass379.141327 Da
  • ChemSpider ID23163602
  • defined stereocentres - 1 of 6 defined stereocentres


More details:






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

Butanamide, 2-(acetylamino)-3-methyl-3-(nitrosothio)-N-[2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]-, (2S)- [ACD/Index Name]
N2-Acetyl-3-(nitrososulfanyl)-N-[2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]-D-valinamid [German] [ACD/IUPAC Name]
N2-Acetyl-3-(nitrososulfanyl)-N-[2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]-D-valinamide [ACD/IUPAC Name]
N2-Acétyl-3-(nitrososulfanyl)-N-[2,3,6-trihydroxy-4-(hydroxyméthyl)cyclohexyl]-D-valinamide [French] [ACD/IUPAC Name]
2-(acetylamino)-3-methyl-3-(nitrosothio)-N-[2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]butanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 87.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.40
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.40
Polar Surface Area: 194 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 241.8±7.0 cm3

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