Found 106 results

Search term: MF = 'C_{31}H_{35}N_{5}O_{7}'
ChemSpider 2D Image | (3S,7S)-5-[(2,4-Dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-14-methoxy-2,16-dioxa-5,8,19-triazatetracyclo[19.2.2.2~12,15~.0~3,7~]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione | C31H35N5O7

(3S,7S)-5-[(2,4-Dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-14-methoxy-2,16-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione

  • Molecular FormulaC31H35N5O7
  • Average mass589.639 Da
  • Monoisotopic mass589.253662 Da
  • ChemSpider ID71278832

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,7S)-5-[(2,4-Dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-14-methoxy-2,16-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaen-9,18-dion [German] [ACD/IUPAC Name]
(3S,7S)-5-[(2,4-Dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-14-methoxy-2,16-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione [ACD/IUPAC Name]
(3S,7S)-5-[2-(2,4-Diméthyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acétyl]-14-méthoxy-2,16-dioxa-5,8,19-triazatétracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaène-9,18-dione [French] [ACD/IUPAC Name]
2,5:11,14-Dietheno-15H-pyrrolo[3,4-k][1,10,4,13]dioxadiazacycloeicosine-8,17(9H,16H)-dione, 20-[2-(1,6-dihydro-2,4-dimethyl-6-oxo-5-pyrimidinyl)acetyl]-6,7,18,18a,19,20,21,21a-octahydro-12-methoxy-, ( 18aS,21aS)- [ACD/Index Name]
rel-(3S,7S)-5-[(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-14-methoxy-2,16-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 36.38
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 36.14
Polar Surface Area: 148 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 423.7±7.0 cm3

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