ChemSpider 2D Image | Napsagatran | C26H34N6O6S

Napsagatran

  • Molecular FormulaC26H34N6O6S
  • Average mass558.650 Da
  • Monoisotopic mass558.226074 Da
  • ChemSpider ID5293484

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

154397-77-0 [RN]
84K87A0AJE
Glycine, N-[[(3S)-1-[(E)-aminoiminomethyl]-3-piperidinyl]methyl]-N2-(2-naphthalenylsulfonyl)-L-asparaginyl-N-cyclopropyl- [ACD/Index Name]
N-{[(3S)-1-Carbamimidoyl-3-piperidinyl]methyl}-N2-(2-naphthylsulfonyl)-L-asparaginyl-N-cyclopropylglycin [German] [ACD/IUPAC Name]
N-{[(3S)-1-Carbamimidoyl-3-piperidinyl]methyl}-N2-(2-naphthylsulfonyl)-L-asparaginyl-N-cyclopropylglycine [ACD/IUPAC Name]
N-{[(3S)-1-Carbamimidoyl-3-pipéridinyl]méthyl}-N2-(2-naphtylsulfonyl)-L-asparaginyl-N-cyclopropylglycine [French] [ACD/IUPAC Name]
N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N2-(naphthalen-2-ylsulfonyl)-L-asparaginyl-N-cyclopropylglycine
napsagatran [French] [INN]
Napsagatran [INN] [USAN]
napsagatrán [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7308 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 370.4±7.0 cm3

Click to predict properties on the Chemicalize site


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