ChemSpider 2D Image | 1-(4-{[(3S)-3-Amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)-4-hydroxy-2(1H)-pyrimidinone | C17H25N7O6

1-(4-{[(3S)-3-Amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranuronosyl)-4-hydroxy-2(1H)-pyrimidinone

  • Molecular FormulaC17H25N7O6
  • Average mass423.424 Da
  • Monoisotopic mass423.186646 Da
  • ChemSpider ID25060115
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-(4-{[(3r)-3-Amino-5-{[(Z)-Amino(Imino)methyl](Methyl)amino}pentanoyl]amino}-2,3,4-Trideoxy-D-Erythro-Hex-2-Enopyranuronosyl)-4-Hydroxypyrimidin-2(1h)-One
1-(4-{[(3S)-3-Amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranuronosyl)-4-hydroxy-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-(4-{[(3S)-3-Amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-tridesoxy-β-D-erythro-hex-2-enopyranuronosyl)-4-hydroxy-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(4-{[(3S)-3-Amino-5-(N-méthylcarbamimidamido)pentanoyl]amino}-2,3,4-tridésoxy-β-D-érythro-hex-2-énopyranuronosyl)-4-hydroxy-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[4-[[(3S)-3-amino-5-[[(E)-aminoiminomethyl]methylamino]-1-oxopentyl]amino]-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranuronosyl]-4-hydroxy- [ACD/Index Name]
BLO

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 101.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.74
ACD/LogD (pH 5.5): -7.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 74.3±7.0 dyne/cm
Molar Volume: 262.4±7.0 cm3

Click to predict properties on the Chemicalize site






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