ChemSpider 2D Image | (4S)-4-Acetamido-5-[(3R,4S)-4-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-5-oxopentanoic acid | C21H30N4O8

(4S)-4-Acetamido-5-[(3R,4S)-4-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-5-oxopentanoic acid

  • Molecular FormulaC21H30N4O8
  • Average mass466.485 Da
  • Monoisotopic mass466.206360 Da
  • ChemSpider ID113604135
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4S)-4-Acetamido-5-[(3R,4S)-4-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-5-oxopentanoic acid [ACD/IUPAC Name]
(4S)-4-Acetamido-5-[(3R,4S)-4-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-5-oxopentansäure [German] [ACD/IUPAC Name]
1-Oxa-9-azaspiro[5.5]undecane-9-pentanoic acid, γ-(acetylamino)-4-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-hydroxy-3-methyl-δ-oxo-, (γS,3R,4S)- [ACD/Index Name]
Acide (4S)-4-acétamido-5-[(3R,4S)-4-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-3-méthyl-1-oxa-9-azaspiro[5.5]undéc-9-yl]-5-oxopentanoïque [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: 1.614
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.13
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 325.5±5.0 cm3

Click to predict properties on the Chemicalize site






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