Found 1 result

Search term: 44210976 (Found by CSID)
ChemSpider 2D Image | (3aS,4R,10R,10aS)-4-(Hydroxymethyl)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-10-ol | C9H16N6O2

(3aS,4R,10R,10aS)-4-(Hydroxymethyl)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-10-ol

  • Molecular FormulaC9H16N6O2
  • Average mass240.262 Da
  • Monoisotopic mass240.133469 Da
  • ChemSpider ID44210976

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,4R,10R,10aS)-4-(Hydroxymethyl)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-10-ol [German] [ACD/IUPAC Name]
(3aS,4R,10R,10aS)-4-(Hydroxymethyl)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-10-ol [ACD/IUPAC Name]
(3aS,4R,10R,10aS)-4-(Hydroxyméthyl)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-10-ol [French] [ACD/IUPAC Name]
1H,8H-Pyrrolo[1,2-c]purine-4-methanol, octahydro-10-hydroxy-2,6-diimino-, (3aS,4R,10R,10aS)- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 433.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 215.8±31.5 °C
Index of Refraction: 2.009
Molar Refractivity: 55.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -5.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 128.0±7.0 dyne/cm
Molar Volume: 110.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement