ChemSpider 2D Image | Orinapterin | C9H11N5O3

Orinapterin

  • Molecular FormulaC9H11N5O3
  • Average mass237.215 Da
  • Monoisotopic mass237.086182 Da
  • ChemSpider ID13628150

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

Orinapterin
13039-82-2 [RN]
2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-4(1H)-pteridinon [German] [ACD/IUPAC Name]
2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-4(1H)-pteridinone [ACD/IUPAC Name]
2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
4(1H)-Pteridinone, 2-amino-6-[(1S,2S)-1,2-dihydroxypropyl]- [ACD/Index Name]
Ciliapterin
[S-(R*,R*)]-2-amino-6-(1,2-dihydroxypropyl)-4(1H)-Pteridinone
L-Dictyopterin
L-threo-1-(2-amino-4-hydroxy-6-pteridinyl)-1,2-Propanediol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A biopterin that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6. ChEBI CHEBI:74688

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

Density: 1.9±0.1 g/cm3
Boiling Point: 590.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.7±32.9 °C
Index of Refraction: 1.822
Molar Refractivity: 55.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.59
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.86
Polar Surface Area: 134 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 86.7±7.0 dyne/cm
Molar Volume: 127.1±7.0 cm3

Click to predict properties on the Chemicalize site


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