ChemSpider 2D Image | (4S)-6-{[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-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-pentaazacyclohexadec an-15-yl]amino}-6-oxo-1,4-hexanediaminium | C25H46N13O10

(4S)-6-{[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-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-pentaazacyclohexadec an-15-yl]amino}-6-oxo-1,4-hexanediaminium

  • Molecular FormulaC25H46N13O10
  • Average mass688.712 Da
  • Monoisotopic mass688.347412 Da
  • ChemSpider ID26331808

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4S)-6-{[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-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-pentaazacyclohexadeca n-15-yl]amino}-6-oxo-1,4-hexandiaminium [German] [ACD/IUPAC Name]
(4S)-6-{[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-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-pentaazacyclohexadec an-15-yl]amino}-6-oxo-1,4-hexanediaminium [ACD/IUPAC Name]
(4S)-6-{[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-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-pentaazacyclohexadéc an-15-yl]amino}-6-oxo-1,4-hexanediaminium [French] [ACD/IUPAC Name]
Hexanamide, 3,6-diamino-N-[(3S,6Z,9S,12S,15S)-6-[[(aminocarbonyl)amino]methylene]-3-[(4R,6S)-hexahydro-6-hydroxy-2-imino-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaaz acyclohexadec-15-yl]-, conjugate triacid, (3S)- [ACD/Index Name]
Viomycin [INN] [Wiki]
viomycin(3+)

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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