ChemSpider 2D Image | 4-Amino-1-(4-{[(3S)-3-amino-5-{[(E)-hydrazonomethyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-alpha-L-threo-hex-2-enopyranuronosyl)-2(1H)-pyrimidinone | C17H26N8O5

4-Amino-1-(4-{[(3S)-3-amino-5-{[(E)-hydrazonomethyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-α-L-threo-hex-2-enopyranuronosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC17H26N8O5
  • Average mass422.439 Da
  • Monoisotopic mass422.202606 Da
  • ChemSpider ID128924745
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2(1H)-Pyrimidinone, 4-amino-1-[4-[[(3S)-3-amino-5-[[(E)-hydrazinylidenemethyl]methylamino]-1-oxopentyl]amino]-2,3,4-trideoxy-α-L-threo-hex-2-enopyranuronosyl]- [ACD/Index Name]
4-Amino-1-(4-{[(3S)-3-amino-5-{[(E)-hydrazonomethyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-α-L-threo-hex-2-enopyranuronosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(4-{[(3S)-3-amino-5-{[(E)-hydrazonomethyl](methyl)amino}pentanoyl]amino}-2,3,4-tridesoxy-α-L-threo-hex-2-enopyranuronosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(4-{[(3S)-3-amino-5-{[(E)-hydrazonométhyl](méthyl)amino}pentanoyl]amino}-2,3,4-tridésoxy-α-L-thréo-hex-2-énopyranuronosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2079-00-7 [RN]
β-D-erythro-Hex-2-enopyranuronic acid, 4-[[(3S)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -6.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 269.9±7.0 cm3

Click to predict properties on the Chemicalize site






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