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Search term: 28574223 (Found by CSID)
ChemSpider 2D Image | 2,6-Diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol | C9H16N6O3

2,6-Diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol

  • Molecular FormulaC9H16N6O3
  • Average mass256.262 Da
  • Monoisotopic mass256.128387 Da
  • ChemSpider ID28574223

More details:

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

2,6-Diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purin-10,10-diol [German] [ACD/IUPAC Name]
2,6-Diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol [ACD/IUPAC Name]
2,6-Diamino-4-(hydroxyméthyl)-3a,4,8,9-tétrahydro-1H,10H-pyrrolo[1,2-c]purine-10,10-diol [French] [ACD/IUPAC Name]
3H,10H-Pyrrolo[1,2-c]purine-10,10-diol, 2,6-diamino-3a,4,8,9-tetrahydro-4-(hydroxymethyl)- [ACD/Index Name]
4-(hydroxymethyl)-2,6-diimino-decahydropyrrolo[1,2-c]purine-10,10-diol
4-(hydroxymethyl)-2,6-diimino-hexahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
58911-04-9 [RN]
60593-34-2 [RN]
C20021
Dcstx-saxitoxin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 2.3±0.1 g/cm3
Boiling Point: 606.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.4±6.0 kJ/mol
Flash Point: 320.5±34.3 °C
Index of Refraction: 2.011
Molar Refractivity: 56.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -3.54
ACD/LogD (pH 5.5): -5.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 144.3±7.0 dyne/cm
Molar Volume: 113.1±7.0 cm3

Click to predict properties on the Chemicalize site


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