ChemSpider 2D Image | (6S)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(3H)-pteridinone | C9H15N5O3

(6S)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(3H)-pteridinone

  • Molecular FormulaC9H15N5O3
  • Average mass241.247 Da
  • Monoisotopic mass241.117493 Da
  • ChemSpider ID62402461

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(3H)-pteridinon [German] [ACD/IUPAC Name]
(6S)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(3H)-pteridinone [ACD/IUPAC Name]
(6S)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tétrahydro-4(3H)-ptéridinone [French] [ACD/IUPAC Name]
(6S)-6-[(1S,2S)-1,2-Dihydroxypropyl]-2-imino-2,3,5,6,7,8-hexahydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
(6S)-6-[(1S,2S)-1,2-Dihydroxypropyl]-2-imino-2,3,5,6,7,8-hexahydro-4(1H)-pteridinone [ACD/IUPAC Name]
(6S)-6-[(1S,2S)-1,2-Dihydroxypropyl]-2-imino-2,3,5,6,7,8-hexahydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
4(1H)-Pteridinone, 6-[(1S,2S)-1,2-dihydroxypropyl]-2,3,5,6,7,8-hexahydro-2-imino-, (6S)- [ACD/Index Name]
4(3H)-Pteridinone, 2-amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (6S)- [ACD/Index Name]

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: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -4.37
ACD/LogD (pH 5.5): -3.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
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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