ChemSpider 2D Image | N-[(1S,2S)-2-Hydroxycyclopentyl]adenosine | C15H21N5O5

N-[(1S,2S)-2-Hydroxycyclopentyl]adenosine

  • Molecular FormulaC15H21N5O5
  • Average mass351.358 Da
  • Monoisotopic mass351.154266 Da
  • ChemSpider ID21475078

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2R,3S,5R)-2-[6-[[(1S,2S)-2-hydroxycyclopentyl]amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
9H-Purin-6-amine, N-[(1S,2S)-2-hydroxycyclopentyl]-9-[(3ξ)-β-D-threo-pentofuranosyl]-
Adenosine, N-[(1S,2S)-2-hydroxycyclopentyl]- [ACD/Index Name]
N-[(1S,2S)-2-Hydroxycyclopentyl]-9-[(3ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine
N-[(1S,2S)-2-Hydroxycyclopentyl]adenosin [German] [ACD/IUPAC Name]
N-[(1S,2S)-2-Hydroxycyclopentyl]adenosine [ACD/IUPAC Name]
N-[(1S,2S)-2-Hydroxycyclopentyl]adénosine [French] [ACD/IUPAC Name]
(2R,3S,5R)-2-[6-((1S,2S)-2-Hydroxy-cyclopentylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
124555-18-6 [RN]
MFCD00884605 [MDL number]

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

GR 79236 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 728.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 394.3±35.7 °C
Index of Refraction: 1.846
Molar Refractivity: 82.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.07
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.20
Polar Surface Area: 146 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 89.2±7.0 dyne/cm
Molar Volume: 185.2±7.0 cm3

Click to predict properties on the Chemicalize site


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