ChemSpider 2D Image | (2R,3R,4S,5R)-2-[4-(~15~N)Amino(2-~13~C,~2~H_3_,3-~15~N)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furancarbonitrile (non-preferred name) | C1113CH10D3N315N2O4

(2R,3R,4S,5R)-2-[4-(15N)Amino(2-13C,2H3,3-15N)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furancarbonitrile (non-preferred name)

  • Molecular FormulaC1113CH10D3N315N2O4
  • Average mass297.261 Da
  • Monoisotopic mass297.113007 Da
  • ChemSpider ID114811005

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R,4S,5R)-2-[4-(15N)Amino(2-13C,2H3,3-15N)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furancarbonitril (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-[4-(15N)Amino(2-13C,2H3,3-15N)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furancarbonitrile (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-[4-(15N)Amino(2-13C,2H3,3-15N)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanecarbonitrile (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.818
Molar Refractivity: 68.6±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 94.8±7.0 dyne/cm
Molar Volume: 157.8±7.0 cm3

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