ChemSpider 2D Image | 6-{[3-(2-Ammonio-6-hydroxy-1,4,5,6-tetrahydro-4-pyrimidinyl)-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]amino}-6-oxo-1,4-hexane diaminium | C25H46N13O10

6-{[3-(2-Ammonio-6-hydroxy-1,4,5,6-tetrahydro-4-pyrimidinyl)-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]amino}-6-oxo-1,4-hexane diaminium

  • Molecular FormulaC25H46N13O10
  • Average mass688.712 Da
  • Monoisotopic mass688.347412 Da
  • ChemSpider ID21433044

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

6-{[3-(2-Ammonio-6-hydroxy-1,4,5,6-tetrahydro-4-pyrimidinyl)-6-[(carbamoylamino)methylen]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]amino}-6-oxo-1,4-hexandi aminium [German] [ACD/IUPAC Name]
6-{[3-(2-Ammonio-6-hydroxy-1,4,5,6-tetrahydro-4-pyrimidinyl)-6-[(carbamoylamino)methylene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]amino}-6-oxo-1,4-hexane diaminium [ACD/IUPAC Name]
6-{[3-(2-Ammonio-6-hydroxy-1,4,5,6-tétrahydro-4-pyrimidinyl)-6-[(carbamoylamino)méthylène]-9,12-bis(hydroxyméthyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadécan-15-yl]amino}-6-oxo-1,4-hexane diaminium [French] [ACD/IUPAC Name]
Hexanamide, 3,6-diamino-N-[6-[[(aminocarbonyl)amino]methylene]-3-(hexahydro-6-hydroxy-2-imino-4-pyrimidinyl)-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadec-15-yl]-, conj ugate triacid [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 23
#H bond donors: 19
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -9.57
ACD/LogD (pH 5.5): -14.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 395 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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