ChemSpider 2D Image | 5'-O-[{[6-({[6-({6-[(6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hex yl]oxy}(hydroxy)phosphoryl]thymidine | C50H53N10O12P

5'-O-[{[6-({[6-({6-[(6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hex yl]oxy}(hydroxy)phosphoryl]thymidine

  • Molecular FormulaC50H53N10O12P
  • Average mass1016.989 Da
  • Monoisotopic mass1016.358215 Da
  • ChemSpider ID25058001

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5'-O-[{[6-({[6-({6-[(6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hex yl]oxy}(hydroxy)phosphoryl]thymidin [German] [ACD/IUPAC Name]
5'-O-[{[6-({[6-({6-[(6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hex yl]oxy}(hydroxy)phosphoryl]thymidine [ACD/IUPAC Name]
5'-O-[{[6-({[6-({6-[(6-Carbamoyl-3,6,7,8-tétrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tétrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tétrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hex yl]oxy}(hydroxy)phosphoryl]thymidine [French] [ACD/IUPAC Name]
phosphonic acid 6-({6-[6-(6-carbamoyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indocene-2-carbonyl]-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonl}-amino)-hexyl ester 5-(5-methyl-2,4-dioxo-3,4-dihydro-2
Thymidine, 5'-O-[[[6-[[[6-[[6-[[6-(aminocarbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]c arbonyl]amino]hexyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.738
Molar Refractivity: 264.8±0.3 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 308 Å2
Polarizability: 105.0±0.5 10-24cm3
Surface Tension: 85.6±3.0 dyne/cm
Molar Volume: 657.7±3.0 cm3

Click to predict properties on the Chemicalize site


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