Found 106 results

Search term: MF = 'C_{31}H_{35}N_{5}O_{7}'
ChemSpider 2D Image | (10R,15S)-13-[3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]-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 | C31H35N5O7

(10R,15S)-13-[3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]-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 FormulaC31H35N5O7
  • Average mass589.639 Da
  • Monoisotopic mass589.253662 Da
  • ChemSpider ID62731284

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-13-[3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]-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-[3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]-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-[3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]-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-[3-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1-oxopropyl]-3,4,6,7,20a,21,22,23,24,24a-decahydro-4-methyl-, (20aR ,24aS)- [ACD/Index Name]
cis-23-[3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoyl]-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: 1.564
Molar Refractivity: 153.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 75.98
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 75.57
Polar Surface Area: 138 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 472.3±3.0 cm3

Click to predict properties on the Chemicalize site


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