Found 1 result

Search term: WOPRCGRQVLJGCX-CECATXLMSA-J (Found by InChIKey (full match))
ChemSpider 2D Image | 5'-O-[Hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(3-oxidophenyl)acetyl]sulfanyl}ethyl)carboximidato]ethyl}carboximidato)propoxy]phosphoryl}oxy)phosphoryl]-3'-O-(hydroxyphosphinato)adenos ine | C29H38N7O18P3S

5'-O-[Hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(3-oxidophenyl)acetyl]sulfanyl}ethyl)carboximidato]ethyl}carboximidato)propoxy]phosphoryl}oxy)phosphoryl]-3'-O-(hydroxyphosphinato)adenos ine

  • Molecular FormulaC29H38N7O18P3S
  • Average mass897.637 Da
  • Monoisotopic mass897.122864 Da
  • ChemSpider ID78316023

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-[Hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(3-oxidophenyl)acetyl]sulfanyl}ethyl)carboximidato]ethyl}carboximidato)propoxy]phosphoryl}oxy)phosphoryl]-3'-O-(hydroxyphosphinato)adenos in [German] [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(3-oxidophenyl)acetyl]sulfanyl}ethyl)carboximidato]ethyl}carboximidato)propoxy]phosphoryl}oxy)phosphoryl]-3'-O-(hydroxyphosphinato)adenos ine [ACD/IUPAC Name]
5'-O-[Hydroxy({hydroxy[(3R)-3-hydroxy-2,2-diméthyl-3-({2-[(2-{[2-(3-oxydophényl)acétyl]sulfanyl}éthyl)carboximidato]éthyl}carboximidato)propoxy]phosphoryl}oxy)phosphoryl]-3'-O-(hydroxyphosphinato)adén osine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[(3R,4Z)-3,4-dihydroxy-4-[[(3Z)-3-hydroxy-3-[[2-[[2-(3-hydroxyphenyl)acetyl]thio]ethyl]imino]propyl]imino]-2,2-dimethylbutyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihy drogen phosphate), ion(4-) [ACD/Index Name]

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

Density:
Boiling Point: 1206.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 187.6±3.0 kJ/mol
Flash Point: 683.5±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -8.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 457 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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