ChemSpider 2D Image | 1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydro-2-furanyl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oat e 3,5-dioxide | C27H39N7O20P3S

1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydro-2-furanyl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oat e 3,5-dioxide

  • Molecular FormulaC27H39N7O20P3S
  • Average mass906.622 Da
  • Monoisotopic mass906.121094 Da
  • ChemSpider ID3491

  • Charge - Charge

More details:

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

1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydro-2-furanyl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oat -3,5-dioxid [German] [ACD/IUPAC Name]
1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydro-2-furanyl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oat e 3,5-dioxide [ACD/IUPAC Name]
3,5-Dioxyde de 1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tétrahydro-2-furanyl]-9,21-dihydroxy-8,8,21-triméthyl-10,14,19-trioxo-3,5-dioxydo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphospha tricosan-23-oate [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-ph osphonopentofuranosyl]-, ion(5-) [ACD/Index Name]
(S)-3-hydroxy-3-methylglutaryl-CoA*HMG-CoA*hydroxymethylglutaryl-CoA*3-hydroxy-3-methylglutaryl-coenzyme A*3-Hydroxy-3-methylglutaryl-CoA
3-hydroxy-3-methyl-glutaryl-CoA

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 27
#H bond donors: 12
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -4.59
ACD/LogD (pH 5.5): -11.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 490 Å2
Polarizability:
Surface Tension:
Molar Volume:

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