ChemSpider 2D Image | 1-Hydroxy-2-Naphthoyl-Coa | C32H42N7O18P3S

1-Hydroxy-2-Naphthoyl-Coa

  • Molecular FormulaC32H42N7O18P3S
  • Average mass937.698 Da
  • Monoisotopic mass937.151978 Da
  • ChemSpider ID35033641

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Hydroxy-2-naphtalènecarbothioate de S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-diméthyl-10,14-dioxo-3,5-dioxydo-2,4 ;,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadécan-17-yle} (non-preferred name) [French] [ACD/IUPAC Name]
1-Hydroxy-2-Naphthoyl-Coa
Adenosine, 5'-O-[(R)-hydroxy[[(R)-hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[[(1-hydroxy-2-naphthalenyl)carbonyl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-, 3'-(d ihydrogen phosphate) [ACD/Index Name]
S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5lamb da5-diphosphaheptadecan-17-yl} 1-hydroxy-2-naphthalenecarbothioate (non-preferred name) [ACD/IUPAC Name]
S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5lamb da5-diphosphaheptadecan-17-yl}-1-hydroxy-2-naphthalincarbothioat (non-preferred name) [German] [ACD/IUPAC Name]
1HA

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: 1.736
Molar Refractivity: 205.0±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -8.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 439 Å2
Polarizability: 81.3±0.5 10-24cm3
Surface Tension: 94.6±7.0 dyne/cm
Molar Volume: 510.4±7.0 cm3

Click to predict properties on the Chemicalize site


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