ChemSpider 2D Image | (3R)-3,6-Diamino-N-[(3R,9S,12S,15S)-6-[(carbamoylamino)methylene]-3-[(4S,6S)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-1 5-yl]hexanamide | C25H43N13O10

(3R)-3,6-Diamino-N-[(3R,9S,12S,15S)-6-[(carbamoylamino)methylene]-3-[(4S,6S)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-1 5-yl]hexanamide

  • Molecular FormulaC25H43N13O10
  • Average mass685.690 Da
  • Monoisotopic mass685.325562 Da
  • ChemSpider ID57618925

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3R)-3,6-Diamino-N-[(3R,9S,12S,15S)-6-[(carbamoylamino)methylen]-3-[(4S,6S)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15 -yl]hexanamid [German] [ACD/IUPAC Name]
(3R)-3,6-Diamino-N-[(3R,9S,12S,15S)-6-[(carbamoylamino)methylene]-3-[(4S,6S)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-1 5-yl]hexanamide [ACD/IUPAC Name]
(3R)-3,6-Diamino-N-[(3R,9S,12S,15S)-6-[(carbamoylamino)méthylène]-3-[(4S,6S)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]-9,12-bis(hydroxyméthyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadécan-1 5-yl]hexanamide [French] [ACD/IUPAC Name]
Hexanamide, 3,6-diamino-N-[(3R,9S,12S,15S)-6-[[(aminocarbonyl)amino]methylene]-3-[(4S,6S)-hexahydro-6-hydroxy-2-imino-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacy clohexadec-15-yl]-, (3R)- [ACD/Index Name]
32988-50-4 [RN]
Viomycin [INN] [Wiki]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.762
Molar Refractivity: 156.3±0.5 cm3
#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: 390 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 91.8±7.0 dyne/cm
Molar Volume: 379.0±7.0 cm3

Click to predict properties on the Chemicalize site


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