ChemSpider 2D Image | 6-[(1R,2R)-1,2-Dihydroxypropyl]-2-imino-2,3,7,8-tetrahydro-4(1H)-pteridinone | C9H13N5O3

6-[(1R,2R)-1,2-Dihydroxypropyl]-2-imino-2,3,7,8-tetrahydro-4(1H)-pteridinone

  • Molecular FormulaC9H13N5O3
  • Average mass239.231 Da
  • Monoisotopic mass239.101837 Da
  • ChemSpider ID71360806

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4(1H)-Pteridinone, 6-[(1R,2R)-1,2-dihydroxypropyl]-2,3,7,8-tetrahydro-2-imino- [ACD/Index Name]
6-[(1R,2R)-1,2-Dihydroxypropyl]-2-imino-2,3,7,8-tetrahydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
6-[(1R,2R)-1,2-Dihydroxypropyl]-2-imino-2,3,7,8-tetrahydro-4(1H)-pteridinone [ACD/IUPAC Name]
6-[(1R,2R)-1,2-Dihydroxypropyl]-2-imino-2,3,7,8-tétrahydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
6779-87-9 [RN]
dihydrobiopterin [Wiki]
L-erythro-7,8-Dihydrobiopterin
L-erythro-q-dihydrobiopterin
q-BH2
Quinonoid dihydrobiopterin

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.822
Molar Refractivity: 55.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.54
ACD/LogD (pH 5.5): -4.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 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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