ChemSpider 2D Image | N-{9-[(3xi)-beta-D-threo-Pentofuranosyl]-9H-purin-6-yl}-D-aspartic acid | C14H17N5O8

N-{9-[(3ξ)-β-D-threo-Pentofuranosyl]-9H-purin-6-yl}-D-aspartic acid

  • Molecular FormulaC14H17N5O8
  • Average mass383.314 Da
  • Monoisotopic mass383.107727 Da
  • ChemSpider ID71116977

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Acide N-{9-[(3ξ)-β-D-thréo-pentofuranosyl]-9H-purin-6-yl}-D-aspartique [French] [ACD/IUPAC Name]
D-Aspartic acid, N-[9-[(3ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-yl]- [ACD/Index Name]
N-{9-[(3ξ)-β-D-threo-Pentofuranosyl]-9H-purin-6-yl}-D-asparaginsäure [German] [ACD/IUPAC Name]
N-{9-[(3ξ)-β-D-threo-Pentofuranosyl]-9H-purin-6-yl}-D-aspartic acid [ACD/IUPAC Name]
4542-23-8 [RN]
N6-Succinyl adenosine

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

Density: 2.0±0.1 g/cm3
Boiling Point: 816.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.6±37.1 °C
Index of Refraction: 1.826
Molar Refractivity: 82.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -3.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 102.3±7.0 dyne/cm
Molar Volume: 189.5±7.0 cm3

Click to predict properties on the Chemicalize site


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