ChemSpider 2D Image | 1-{(Z)-[(3S,9S,12S,15S)-15-Amino-3-[(4R)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-6-ylidene]methyl}urea | C19H31N11O8

1-{(Z)-[(3S,9S,12S,15S)-15-Amino-3-[(4R)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-6-ylidene]methyl}urea

  • Molecular FormulaC19H31N11O8
  • Average mass541.518 Da
  • Monoisotopic mass541.235718 Da
  • ChemSpider ID2301341

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-{(Z)-[(3S,9S,12S,15S)-15-Amino-3-[(4R)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-6-yliden]methyl}harnstoff [German] [ACD/IUPAC Name]
1-{(Z)-[(3S,9S,12S,15S)-15-Amino-3-[(4R)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-6-ylidene]methyl}urea [ACD/IUPAC Name]
1-{(Z)-[(3S,9S,12S,15S)-15-Amino-3-[(4R)-2-amino-3,4,5,6-tétrahydro-4-pyrimidinyl]-9,12-bis(hydroxyméthyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadécan-6-ylidène]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[(Z)-[(3S,9S,12S,15S)-15-amino-3-[(4R)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadec-6-ylidene]methyl]- [ACD/Index Name]
(R)-1-de(L-3,6-Diaminohexanoic acid)-6-(L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)glycine) viomycin
[(3S,6Z,9S,12S,15S)-15-AMINO-3-[(4R)-2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDIN-4-YL]-9,12-BIS(HYDROXYMETHYL)-2,5,8,11,14-PENTAOXO-1,4,7,10,13-PENTAAZACYCLOHEXADECAN-6-YLIDENE]METHYLUREA
56257-31-9 [RN]
Tuberactinamine-N

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.794
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 15
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -9.81
ACD/LogD (pH 5.5): -12.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 318 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 98.0±7.0 dyne/cm
Molar Volume: 287.1±7.0 cm3

Click to predict properties on the Chemicalize site


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