Found 1 result

Search term: (S)-malyl-CoA (Found by synonym)

ChemSpider 2D Image | (9R,21S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydro-2-furanyl]-9,21-dihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-dipho
sphadocosan-22-oate 3,5-dioxide | C25H35N7O20P3S

(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydro-2-furanyl]-9,21-dihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-dipho sphadocosan-22-oate 3,5-dioxide

  • Molecular FormulaC25H35N7O20P3S
  • Average mass878.569 Da
  • Monoisotopic mass878.089783 Da
  • ChemSpider ID26330695
  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(9R,21S) 3,5-Dioxyde de 1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)t├ętrahydro-2-furanyl]-9,21-dihydroxy-8,8-dim├ęthyl-10,14,19-trioxo-3,5-dioxydo-2,4,6-trioxa-18-thia-11,15- diaza-3,5-diphosphadocosan-22-oate [French] [ACD/IUPAC Name]
(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydro-2-furanyl]-9,21-dihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-dipho sphadocosan-22-oat-3,5-dioxid [German] [ACD/IUPAC Name]
(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydro-2-furanyl]-9,21-dihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-dipho sphadocosan-22-oate 3,5-dioxide [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[[(3S)-3-carboxy-3-hydroxy-1-oxopropyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydro gen phosphate), ion(5-) [ACD/Index Name]
(3S)-3-carboxy-3-hydroxypropanoyl-CoA pentaanion
(3S)-3-carboxy-3-hydroxypropanoyl-CoA(5-)
(3S)-3-carboxy-3-hydroxypropanoyl-coenzyme A(5-)
(S)-malyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxylato-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 23
#Rule of 5 Violations: 3
ACD/LogP: -4.19
ACD/LogD (pH 5.5): -12.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.93
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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