ChemSpider 2D Image | L-threonylcarbamoyladenylate | C15H21N6O11P

L-threonylcarbamoyladenylate

  • Molecular FormulaC15H21N6O11P
  • Average mass492.335 Da
  • Monoisotopic mass492.100586 Da
  • ChemSpider ID28639397

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3-hydroxy-7-[(1R)-1-hydroxyethyl]-5-oxo-2,4-dioxa-6-aza-3-phosphaoctan-8-oic acid 3-oxide [ACD/IUPAC Name]
(7S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]-3-hydroxy-7-[(1R)-1-hydroxyethyl]-5-oxo-2,4-dioxa-6-aza-3-phosphaoctan-8-säure-3-oxid [German] [ACD/IUPAC Name]
Acide (7S) 3-oxyde de 1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]-3-hydroxy-7-[(1R)-1-hydroxyéthyl]-5-oxo-2,4-dioxa-6-aza-3-phosphaoctan-8-oïque [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]carbonyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
L-threonylcarbamoyladenylate
L-threonylcarbamoyl-AMP
N-(adenyloxycarbonyl)-L-threnine
TC-AMP
Threonylcarbamoyladenylate
TXA
  • Miscellaneous

    • Chemical Class:

      A threonine derivative that is <stereo>L</stereo>-threonine in which one of the amino hydrogens is substituted by and adenyloxycarbonyl group ChEBI CHEBI:73687
      A threonine derivative that is L-threonine in which one of the amino hydrogens is substituted by and adenyloxycarbonyl group ChEBI CHEBI:73687

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.807
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -7.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 113.5±7.0 dyne/cm
Molar Volume: 231.9±7.0 cm3

Click to predict properties on the Chemicalize site


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