ChemSpider 2D Image | (6S)-2-Amino-6-[(1R,2S)-1,2-dihydroxy(3,3,3-~2~H_3_)propyl]-5,6,7,8-tetrahydro-4(3H)-pteridinone | C9H12D3N5O3

(6S)-2-Amino-6-[(1R,2S)-1,2-dihydroxy(3,3,3-2H3)propyl]-5,6,7,8-tetrahydro-4(3H)-pteridinone

  • Molecular FormulaC9H12D3N5O3
  • Average mass244.266 Da
  • Monoisotopic mass244.136322 Da
  • ChemSpider ID48062158
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(6S)-2-Amino-6-[(1R,2S)-1,2-dihydroxy(3,3,3-2H3)propyl]-5,6,7,8-tetrahydro-4(3H)-pteridinon [German] [ACD/IUPAC Name]
(6S)-2-Amino-6-[(1R,2S)-1,2-dihydroxy(3,3,3-2H3)propyl]-5,6,7,8-tetrahydro-4(3H)-pteridinone [ACD/IUPAC Name]
(6S)-2-Amino-6-[(1R,2S)-1,2-dihydroxy(3,3,3-2H3)propyl]-5,6,7,8-tétrahydro-4(3H)-ptéridinone [French] [ACD/IUPAC Name]
4(3H)-Pteridinone, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl-3,3,3-d3]-5,6,7,8-tetrahydro-, (6S)- [ACD/Index Name]
(6S)-2-amino-6-[(1R,2S)-3,3,3-trideuterio-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
1329499-33-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: -4.05
ACD/LogD (pH 5.5): -4.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 86.7±7.0 dyne/cm
Molar Volume: 127.1±7.0 cm3

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