ChemSpider 2D Image | (10S,15S)-13-[(4-Methyl-1-oxo-2(1H)-phthalazinyl)acetyl]-2,9-dioxa-13,16,21,25-tetraazatetracyclo[21.3.1.1~3,7~.0~10,15~]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione | C33H34N6O6

(10S,15S)-13-[(4-Methyl-1-oxo-2(1H)-phthalazinyl)acetyl]-2,9-dioxa-13,16,21,25-tetraazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione

  • Molecular FormulaC33H34N6O6
  • Average mass610.660 Da
  • Monoisotopic mass610.253967 Da
  • ChemSpider ID62733864
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(10S,15S)-13-[(4-Methyl-1-oxo-2(1H)-phthalazinyl)acetyl]-2,9-dioxa-13,16,21,25-tetraazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaen-17,22-dion [German] [ACD/IUPAC Name]
(10S,15S)-13-[(4-Methyl-1-oxo-2(1H)-phthalazinyl)acetyl]-2,9-dioxa-13,16,21,25-tetraazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,22-dione [ACD/IUPAC Name]
(10S,15S)-13-[2-(4-Méthyl-1-oxo-2(1H)-phtalazinyl)acétyl]-2,9-dioxa-13,16,21,25-tétraazatétracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaène-17,22-dione [French] [ACD/IUPAC Name]
1H,19H-8,12:18,14-Dimethenopyrido[3,4-n][1,16,4,8,13]dioxatriazacyclodocosine-2,7-dione, 3,4,5,6,20a,21,22,23,24,24a-decahydro-23-[2-(4-methyl-1-oxo-2(1H)-phthalazinyl)acetyl]-, (20aS,24aS)- [ACD/Index Name]
trans-23-[(4-methyl-1-oxophthalazin-2(1H)-yl)acetyl]-3,4,5,6,20a,21,22,23,24,24a-decahydro-1H-8,12:14,18-dimethenopyrido[3,4-n][1,16,4,8,13]dioxatriazacyclodocosine-2,7-dione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 165.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.64
ACD/KOC (pH 5.5): 176.11
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.65
ACD/KOC (pH 7.4): 176.33
Polar Surface Area: 143 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 433.2±7.0 cm3

Click to predict properties on the Chemicalize site






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