ChemSpider 2D Image | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | C20H23N7O7

5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID

  • Molecular FormulaC20H23N7O7
  • Average mass473.439 Da
  • Monoisotopic mass473.165894 Da
  • ChemSpider ID26329828

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID
Acide N-[4-({[(6R)-2-amino-5-(hydroxyméthyl)-4-oxo-1,4,5,6-tétrahydro-6-ptéridinyl]méthyl}amino)benzoyl]-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[[(6R)-2-amino-1,4,5,6-tetrahydro-5-(hydroxymethyl)-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[(6R)-2-Amino-5-(hydroxymethyl)-4-oxo-1,4,5,6-tetrahydro-6-pteridinyl]methyl}amino)benzoyl]-D-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6R)-2-Amino-5-(hydroxymethyl)-4-oxo-1,4,5,6-tetrahydro-6-pteridinyl]methyl}amino)benzoyl]-D-glutaminsäure [German] [ACD/IUPAC Name]
(2R)-2-{[4-({[(6R)-2-amino-5-(hydroxymethyl)-4-oxo-1,4,5,6-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
(2R)-2-{[4-({[(6R)-2-amino-5-(hydroxymethyl)-4-oxo-1,6-dihydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -4.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 80.9±7.0 dyne/cm
Molar Volume: 280.7±7.0 cm3

Click to predict properties on the Chemicalize site


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