ChemSpider 2D Image | 2-{(2R,3R,6S)-2-{[(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl]oxy}-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-3-yl}guanidine | C22H45N7O7

2-{(2R,3R,6S)-2-{[(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl]oxy}-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-3-yl}guanidine

  • Molecular FormulaC22H45N7O7
  • Average mass519.635 Da
  • Monoisotopic mass519.338074 Da
  • ChemSpider ID139195

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

2-{(2R,3R,6S)-2-{[(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl]oxy}-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-3-yl}guanidine [ACD/IUPAC Name]
2-{(2R,3R,6S)-2-{[(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-desoxy-4-C-methyl-3-(methylamino)-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl]oxy}-6-[(1R)-1-(methylamino)ethyl]tetrahydro-2H-pyran-3-yl}guanidin [German] [ACD/IUPAC Name]
2-{(2R,3R,6S)-2-{[(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-désoxy-4-C-méthyl-3-(méthylamino)-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl]oxy}-6-[(1R)-1-(méthylamino)éthyl]tétrahydro-2H-pyran-3-yl}guanidine [French] [ACD/IUPAC Name]
α-D-ribo-Heptopyranoside, (1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-deoxy-4-C-methyl-3-(methylamino)-L-arabinopyranosyl]oxy]-2-hydroxycyclohexyl 2,3,4,6,7-pentadeoxy-2-[(diaminomethylene)amino]-6-(methyl amino)- [ACD/Index Name]
2'-Guanidyl-2'-deaminogentamicin C1
82089-23-4 [RN]
D-Streptamine, O-2-((aminoiminomethyl)amino)-2,3,4,6,7-pentadeoxy-6-(methylamino)-α-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1-6)-2-deoxy-

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

S 86451 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 746.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.2±6.0 kJ/mol
Flash Point: 405.1±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 121.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 13
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -9.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 321.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement