ChemSpider 2D Image | 1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-21-ethyl-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic a cid 3,5-dioxide | C28H46N7O20P3S

1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-21-ethyl-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic a cid 3,5-dioxide

  • Molecular FormulaC28H46N7O20P3S
  • Average mass925.686 Da
  • Monoisotopic mass925.173096 Da
  • ChemSpider ID164807

More details:

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

1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-21-ethyl-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic a cid 3,5-dioxide [ACD/IUPAC Name]
1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-21-ethyl-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-säure -3,5-dioxid [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[[3-(carboxymethyl)-3-hydroxy-1-oxopentyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-ph osphonopentofuranosyl]- [ACD/Index Name]
Acide 3,5-dioxyde de 1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-21-éthyl-3,5,9,21-tétrahydroxy-8,8-diméthyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-dipho sphatricosan-23-oïque [French] [ACD/IUPAC Name]
3-Hydroxy-3-ethylglutaryl-coa
3-Hydroxy-3-ethylglutaryl-coenzyme A
69925-08-2 [RN]
Coenzyme A, 3-hydroxy-3-ethylglutaryl-
Coenzyme A, S-(hydrogen 3-ethyl-3-hydroxypentanedioate)
Heg-coa
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 193.7±0.5 cm3
#H bond acceptors: 27
#H bond donors: 12
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -4.06
ACD/LogD (pH 5.5): -11.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 476 Å2
Polarizability: 76.8±0.5 10-24cm3
Surface Tension: 94.4±7.0 dyne/cm
Molar Volume: 502.3±7.0 cm3

Click to predict properties on the Chemicalize site


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