ChemSpider 2D Image | {[2-Amino-5-(octylamino)-5-oxopentanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acetic acid (non-preferred name) | C23H37N5O9

{[2-Amino-5-(octylamino)-5-oxopentanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acetic acid (non-preferred name)

  • Molecular FormulaC23H37N5O9
  • Average mass527.568 Da
  • Monoisotopic mass527.259155 Da
  • ChemSpider ID68026471

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

{[2-Amino-5-(octylamino)-5-oxopentanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acetic acid (non-preferred name) [ACD/IUPAC Name]
{[2-Amino-5-(octylamino)-5-oxopentanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]essigsäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide {[2-amino-5-(octylamino)-5-oxopentanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]acétique (non-preferred name) [French] [ACD/IUPAC Name]

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: 1.575
Molar Refractivity: 128.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 388.0±3.0 cm3

Click to predict properties on the Chemicalize site


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