ChemSpider 2D Image | (4R,7R,10R)-10-Benzyl-15-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-7-isobutyl-4-methyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone | C32H40N8O8

(4R,7R,10R)-10-Benzyl-15-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-7-isobutyl-4-methyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone

  • Molecular FormulaC32H40N8O8
  • Average mass664.709 Da
  • Monoisotopic mass664.296936 Da
  • ChemSpider ID71274582

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,7R,10R)-10-Benzyl-15-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-7-isobutyl-4-methyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dien-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(4R,7R,10R)-10-Benzyl-15-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]-7-isobutyl-4-methyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone [ACD/IUPAC Name]
(4R,7R,10R)-10-Benzyl-15-[(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)carbonyl]-7-isobutyl-4-méthyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
18-Oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]eicosa-17(20),19-diene-2,5,8,11-tetrone, 4-methyl-7-(2-methylpropyl)-10-(phenylmethyl)-15-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)carbonyl ]-, (4R,7R,10R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.539
Molar Refractivity: 168.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.19
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.19
Polar Surface Area: 203 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 538.0±3.0 cm3

Click to predict properties on the Chemicalize site


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