ChemSpider 2D Image | (2R,3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)-3,4-pyrrolidinediol | C12H17N5O3

(2R,3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)-3,4-pyrrolidinediol

  • Molecular FormulaC12H17N5O3
  • Average mass279.295 Da
  • Monoisotopic mass279.133148 Da
  • ChemSpider ID23342405

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2R,3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2R,3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]-2-(hydroxyméthyl)-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
(2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
3,4-Pyrrolidinediol, 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)-, (2R,3R,4S)- [ACD/Index Name]
AGV
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL493457/
N-(9-Deaza-adenin-9-yl)methyl-1,4-dideoxy-1,4-imino-D-ribitol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 636.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.798
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.31
Polar Surface Area: 132 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 122.1±3.0 dyne/cm
Molar Volume: 171.8±3.0 cm3

Click to predict properties on the Chemicalize site


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