Found 106 results

Search term: MF = 'C_{31}H_{35}N_{5}O_{7}'
ChemSpider 2D Image | (10S,15S)-19-Ethyl-13-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-2,9-dioxa-13,16,19-triazatetracyclo[20.3.1.1~3,7~.0~10,15~]heptacosa-1(26),3(27),4,6,22,24-hexaene-17,20-dione | C31H35N5O7

(10S,15S)-19-Ethyl-13-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-2,9-dioxa-13,16,19-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(26),3(27),4,6,22,24-hexaene-17,20-dione

  • Molecular FormulaC31H35N5O7
  • Average mass589.639 Da
  • Monoisotopic mass589.253662 Da
  • ChemSpider ID62730465

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-19-Ethyl-13-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-2,9-dioxa-13,16,19-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(26),3(27),4,6,22,24-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10S,15S)-19-Ethyl-13-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-2,9-dioxa-13,16,19-triazatetracyclo[20.3.1.13,7.010,15]heptacosa-1(26),3(27),4,6,22,24-hexaene-17,20-dione [ACD/IUPAC Name]
(10S,15S)-19-Éthyl-13-[2-(3-méthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)acétyl]-2,9-dioxa-13,16,19-triazatétracyclo[20.3.1.13,7.010,15]heptacosa-1(26),3(27),4,6,22,24-hexaène-17,20-dione [French] [ACD/IUPAC Name]
11,7:17,13-Dimetheno-18H-pyrido[4,3-b][1,15,4,7]dioxadiazacycloheneicosine-2,5(1H,6H)-dione, 4-ethyl-3,4,19a,20,21,22,23,23a-octahydro-22-[2-(1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-5-pyrimidinyl)acetyl ]-, (19aS,23aS)- [ACD/Index Name]
trans-4-ethyl-22-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetyl]-3,4,19a,20,21,22,23,23a-octahydro-7,11:13,17-dimethenopyrido[4,3-b][1,15,4,7]dioxadiazacyclohenicosine-2,5(1H,6H)-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: 1.563
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.84
ACD/KOC (pH 5.5): 151.95
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.82
ACD/KOC (pH 7.4): 151.55
Polar Surface Area: 138 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 473.6±3.0 cm3

Click to predict properties on the Chemicalize site


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