ChemSpider 2D Image | butikacin | C22H45N5O12

butikacin

  • Molecular FormulaC22H45N5O12
  • Average mass571.619 Da
  • Monoisotopic mass571.306458 Da
  • ChemSpider ID10128613

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1S,2S,3R,4S,6R)-4-Amino-3-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-6-{[(2S)-4-amino-2-hydroxybutyl]amino}-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1S,2S,3R,4S,6R)-4-Amino-3-[(6-amino-6-desoxy-α-D-glucopyranosyl)oxy]-6-{[(2S)-4-amino-2-hydroxybutyl]amino}-2-hydroxycyclohexyl-3-amino-3-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
(S)-O-3-Amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-(6-amino-6-deoxy-a-D-glucopyranosyl-(1®4))-N1-(4-amino-2-hydroxybutyl)-2-deoxy-D-streptamine
3-Amino-3-désoxy-α-D-glucopyranoside de (1S,2S,3R,4S,6R)-4-amino-3-[(6-amino-6-désoxy-α-D-glucopyranosyl)oxy]-6-{[(2S)-4-amino-2-hydroxybutyl]amino}-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
59733-86-7 [RN]
butikacin [USAN]
I61243PDCC
O-3-Amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-(6-amino-6-deoxy-a-D-glucopyranosyl-(1®4))-N1-((S)-4-amino-2-hydroxybutyl)-2-deoxy-D-streptamine
α-D-Glucopyranoside, (1S,2S,3R,4S,6R)-4-amino-3-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-6-[[(2S)-4-amino-2-hydroxybutyl]amino]-2-hydroxycyclohexyl 3-amino-3-deoxy- [ACD/Index Name]
UNII:I61243PDCC
More...

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

4592 [DBID]
UK 18892 [DBID]
D03190 [DBID]
UK-18892 [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: 916.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.3±6.0 kJ/mol
Flash Point: 508.2±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 17
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.16
ACD/LogD (pH 5.5): -10.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 97.9±5.0 dyne/cm
Molar Volume: 367.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement