ChemSpider 2D Image | (10R,15S)-13-[(2-Amino-6-isopropyl-4-pyrimidinyl)carbonyl]-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.1~3,7~.0~10,15~]octacosa-1(27),3(28),4,6,23,25-hexaene-17,20-dione | C32H38N6O5

(10R,15S)-13-[(2-Amino-6-isopropyl-4-pyrimidinyl)carbonyl]-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,20-dione

  • Molecular FormulaC32H38N6O5
  • Average mass586.681 Da
  • Monoisotopic mass586.290344 Da
  • ChemSpider ID62720982

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-13-[(2-Amino-6-isopropyl-4-pyrimidinyl)carbonyl]-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10R,15S)-13-[(2-Amino-6-isopropyl-4-pyrimidinyl)carbonyl]-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,20-dione [ACD/IUPAC Name]
(10R,15S)-13-[(2-Amino-6-isopropyl-4-pyrimidinyl)carbonyl]-19-méthyl-2,9-dioxa-13,16,19-triazatétracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaène-17,20-dione [French] [ACD/IUPAC Name]
1H,19H-8,12:18,14-Dimethenopyrido[4,3-b][1,16,4,7]dioxadiazacyclodocosine-2,5-dione, 23-[[2-amino-6-(1-methylethyl)-4-pyrimidinyl]carbonyl]-3,4,6,7,20a,21,22,23,24,24a-decahydro-4-methyl-, (20aR,24aS) - [ACD/Index Name]
cis-23-[(2-amino-6-isopropylpyrimidin-4-yl)carbonyl]-4-methyl-3,4,6,7,20a,21,22,23,24,24a-decahydro-1H-8,12:14,18-dimethenopyrido[4,3-b][1,16,4,7]dioxadiazacyclodocosine-2,5-dione

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: 1.578
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.49
ACD/KOC (pH 5.5): 456.65
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.56
ACD/KOC (pH 7.4): 457.48
Polar Surface Area: 140 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 484.5±3.0 cm3

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