ChemSpider 2D Image | (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranoside | C14H25N3O9

(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranoside

  • Molecular FormulaC14H25N3O9
  • Average mass379.363 Da
  • Monoisotopic mass379.159088 Da
  • ChemSpider ID26354111
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranoside [ACD/IUPAC Name]
(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl-2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradesoxy-α-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
2-Amino-4-{[carboxy(imino)méthyl]amino}-2,3,4,6-tétradésoxy-α-D-arabino-hexopyranoside de (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-arabino-Hexopyranoside, (1β,2α,3α,4α,5β,6α)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy- [ACD/Index Name]
2-(((2R,3S,5S,6R)-5-Amino-2-methyl-6-(((1R,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl)oxy)tetrahydro-2H-pyran-3-yl)amino)-2-iminoacetic acid
2-(((2R,3S,5S,6R)-5-amino-2-methyl-6-(((1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl)oxy)tetrahydro-2H-pyran-3-yl)amino)-2-iminoacetic acid
Kasugamycin [Wiki]
Kasuminl
MFCD00136694 [MDL number]
MFCD23701437 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 585.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.2±32.9 °C
Index of Refraction: 1.738
Molar Refractivity: 77.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -5.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 88.6±7.0 dyne/cm
Molar Volume: 192.3±7.0 cm3

Click to predict properties on the Chemicalize site






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