ChemSpider 2D Image | N-(4-{[(2E)-3-{4-[Hydroxy(imino)methyl]-1-(5-O-phosphono-beta-L-ribofuranosyl)-1H-imidazol-5-yl}-2-propenoyl][(2-imino-4-oxo-1,2,3,4-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzoyl)-D-gluta mic acid | C32H34N9O15P

N-(4-{[(2E)-3-{4-[Hydroxy(imino)methyl]-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-5-yl}-2-propenoyl][(2-imino-4-oxo-1,2,3,4-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzoyl)-D-gluta mic acid

  • Molecular FormulaC32H34N9O15P
  • Average mass815.637 Da
  • Monoisotopic mass815.191223 Da
  • ChemSpider ID71360787

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acide N-(4-{[(2E)-3-{4-[hydroxy(imino)méthyl]-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-5-yl}-2-propenoyl][(2-imino-4-oxo-1,2,3,4-tétrahydropyrido[3,2-d]pyrimidin-6-yl)méthyl]amino}benzoyl)-D -glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[(2E)-3-[4-(hydroxyiminomethyl)-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-5-yl]-1-oxo-2-propen-1-yl][(1,2,3,4-tetrahydro-2-imino-4-oxopyrido[3,2-d]pyrimidin-6-yl)methyl ]amino]benzoyl]- [ACD/Index Name]
N-(4-{[(2E)-3-{4-[Hydroxy(imino)methyl]-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-5-yl}-2-propenoyl][(2-imino-4-oxo-1,2,3,4-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzoyl)-D-gluta mic acid [ACD/IUPAC Name]
N-(4-{[(2E)-3-{4-[Hydroxy(imino)methyl]-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-5-yl}-2-propenoyl][(2-imino-4-oxo-1,2,3,4-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzoyl)-D-gluta minsäure [German] [ACD/IUPAC 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: 1.783
Molar Refractivity: 185.0±0.5 cm3
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -2.65
ACD/LogD (pH 5.5): -8.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 390 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 97.4±7.0 dyne/cm
Molar Volume: 439.8±7.0 cm3

Click to predict properties on the Chemicalize site


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