ChemSpider 2D Image | 1-Deoxy-1-(8,10-dihydroxy-2,2,3,4-tetramethyl-1,2-dihydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl)-5-O-phosphono-D-ribitol | C22H29N4O9P

1-Deoxy-1-(8,10-dihydroxy-2,2,3,4-tetramethyl-1,2-dihydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl)-5-O-phosphono-D-ribitol

  • Molecular FormulaC22H29N4O9P
  • Average mass524.461 Da
  • Monoisotopic mass524.167236 Da
  • ChemSpider ID59053759

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Deoxy-1-(8,10-dihydroxy-2,2,3,4-tetramethyl-1,2-dihydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl)-5-O-phosphono-D-ribitol [ACD/IUPAC Name]
1-Deoxy-1-(8-hydroxy-2,2,3,4-tetramethyl-10-oxo-1,2,9,10-tetrahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl)-5-O-phosphono-D-ribitol [ACD/IUPAC Name]
1-Deoxy-5-O-Phosphono-1-[(10ar)-2,2,3,4-Tetramethyl-8,10-Dioxo-1,2,8,9,10,10a-Hexahydro-6h-Indeno[1,7-Ef]pyrimido[4,5-B][1,4]diazepin-6-Yl]-D-Ribitol
1-Desoxy-1-(8,10-dihydroxy-2,2,3,4-tetramethyl-1,2-dihydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl)-5-O-phosphono-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-(8,10-dihydroxy-2,2,3,4-tétraméthyl-1,2-dihydro-6H-indéno[1,7-ef]pyrimido[4,5-b][1,4]diazépin-6-yl)-5-O-phosphono-D-ribitol [French] [ACD/IUPAC Name]
1-Desoxy-1-(8-hydroxy-2,2,3,4-tetramethyl-10-oxo-1,2,9,10-tetrahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl)-5-O-phosphono-D-ribitol [German] [ACD/IUPAC Name]
1-Désoxy-1-(8-hydroxy-2,2,3,4-tétraméthyl-10-oxo-1,2,9,10-tétrahydro-6H-indéno[1,7-ef]pyrimido[4,5-b][1,4]diazépin-6-yl)-5-O-phosphono-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-deoxy-1-(1,2,9,10-tetrahydro-8-hydroxy-2,2,3,4-tetramethyl-10-oxo-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl)-, 5-(dihydrogen phosphate) [ACD/Index Name]
D-Ribitol, 1-deoxy-1-(1,2-dihydro-8,10-dihydroxy-2,2,3,4-tetramethyl-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl)-, 5-(dihydrogen phosphate) [ACD/Index Name]
FZZ

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

Density: 1.7±0.1 g/cm3
Boiling Point: 911.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 505.0±37.1 °C
Index of Refraction: 1.732
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -3.59
ACD/LogD (pH 5.5): -5.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 76.5±7.0 dyne/cm
Molar Volume: 304.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement