ChemSpider 2D Image | {[4-({6-Methoxy-2-[(tetrahydro-2H-pyran-4-ylmethyl)carbamoyl]-3-pyridinyl}carbamoyl)-1-naphthyl]methyl}(methyl)sulfoniumolate | C26H29N3O5S

{[4-({6-Methoxy-2-[(tetrahydro-2H-pyran-4-ylmethyl)carbamoyl]-3-pyridinyl}carbamoyl)-1-naphthyl]methyl}(methyl)sulfoniumolate

  • Molecular FormulaC26H29N3O5S
  • Average mass495.591 Da
  • Monoisotopic mass495.182800 Da
  • ChemSpider ID29396433

More details:

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

{[4-({6-Methoxy-2-[(tetrahydro-2H-pyran-4-ylmethyl)carbamoyl]-3-pyridinyl}carbamoyl)-1-naphthyl]methyl}(methyl)sulfoniumolat [German] [ACD/IUPAC Name]
{[4-({6-Methoxy-2-[(tetrahydro-2H-pyran-4-ylmethyl)carbamoyl]-3-pyridinyl}carbamoyl)-1-naphthyl]methyl}(methyl)sulfoniumolate [ACD/IUPAC Name]
{[4-({6-Méthoxy-2-[(tétrahydro-2H-pyran-4-ylméthyl)carbamoyl]-3-pyridinyl}carbamoyl)-1-naphtyl]méthyl}(méthyl)sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, hydroxy[[4-[[[6-methoxy-2-[[[(tetrahydro-2H-pyran-4-yl)methyl]amino]carbonyl]-3-pyridinyl]amino]carbonyl]-1-naphthalenyl]methyl]methyl-, inner salt [ACD/Index Name]
1416989-59-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#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: 113 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 375.8±3.0 cm3

Click to predict properties on the Chemicalize site


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